User:Physchim62/Organics/Sandbox

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Contents 1 Bromomethane 2 Butyraldehyde 3 Chloroethane 4 Chloroprene 5 Cyclohexene 6 Diisopropyl ether 7 Dimethylamine 8 Dimethyl terephthalate 9 Dioctyl adipate 10 Diphenylamine 11 Ethylenediamine 12 Ethylene glycol 13 Ethylene glycol dimethacrylate 14 Ethylene glycol dinitrate 15 M-Phenylenediamine 16 P-Phenylenediamine 17 Piperazine 18 Propionaldehyde 19 Propionitrile 20 Propyl acetate 21 Propylamine 22 Propylene glycol 23 Propylene oxide 24 Stearic acid 25 Thiophenol 26 Triazole 27 Trichloroethylene 28 Trimethylamine 29 2,4,6-Trinitrotoluene 30 Vinyl chloride 31 O-Xylene 32 M-Xylene 33 P-Xylene

[edit] Bromomethane

Physchim62/Organics/Sandbox
General
Systematic name	Bromomethane Methyl bromide
Molecular formula	CH3Br
Molar mass	94.95 g/mol
Appearance	Colorless gas
CAS number	[74-83-9]
SMILES	CBr
Properties
Density	1.730 g/ml (liquid)
Solubility in Water	2.5 g/100 ml (20 °C)
Melting point	−93.7 °C
Boiling point	3.6 °C
Dipole moment	?
Thermochemistry
Std enthalpy of formation ΔfHo298	? kJ/mol
Standard molar entropy So298	? J/K/mol
Hazards
MSDS	External MSDS
EU classification	Toxic (T) Muta. Cat. 3 Dangerous for the environment (N)
NFPA 704
R-phrases	R23/25, R36/37/38, R48/20, R50, R59, R68
S-phrases	S1/2, S15, S27, S36/39, S45, S59, S61
Autoignition temperature	537 °C
Explosive limits	10–16%
Supplementary data page
Structure and properties	n, εr, etc.
Thermodynamic data	Phase behaviour Solid, liquid, gas
Spectral data	UV, IR, NMR, MS
Related Compounds
Related [[{{{par_label}}}]]s	Fluoromethane Chloromethane Iodomethane
Related compounds	Dibromomethane Bromoform Tetrabromomethane
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0109
• NIOSH Pocket Guide to Chemical Hazards 0400
• Institut national de recherche et de sécurité (1992). "Bromométhane." Fiche toxicologique n° 67. Paris:INRS. (PDF file, in French)
• European Chemicals Bureau
• IARC Monograph "Methyl bromide."

Category:IARC Group 3 carcinogens

[edit] Butyraldehyde

Physchim62/Organics/Sandbox
Image:Butyraldehyde.png
Systematic name	Butyraldehyde
Molecular formula	C4H8O
Molar mass	72.11 g/mol
CAS number	[123-72-8]
Density	0.8 g/ml
Solubility in Water	7 g/100 ml
Melting point	−99 °C
Boiling point	75 °C
SMILES	CCCC=O
Hazards
MSDS	External MSDS
EU classification	Flammable (F)
NFPA 704
R-phrases	R11
S-phrases	S2, S9, S29, S33
Flash point	−7 °C
Autoignition temperature	230 °C
Explosive limits	2.5–12.5%
Related Compounds
Related [[{{{par_label}}}]]s	Propionaldehyde Pentanal
Related compounds	Butan-1-ol Butyric acid
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0403
• European Chemicals Bureau

[edit] Chloroethane

Physchim62/Organics/Sandbox
Chemical name	Physchim62/Organics/Sandbox
Chemical formula	{{{Formula}}}
Molecular mass	{{{MolarMass}}}
CAS number	[{{{CASNo}}}]
Density	{{{Density}}}
Melting point	{{{MeltingPt}}}
Boiling point	{{{BoilingPt}}}
SMILES	?
Disclaimer and references

• International Chemical Safety Card 0132
• NIOSH Pocket Guide to Chemical Hazards 0267
• European Chemicals Bureau
• IARC Monograph "Chloroethane."
• NIST Chemistry WebBook

Category:IARC Group 3 carcinogens

[edit] Chloroprene

Physchim62/Organics/Sandbox
Chemical name	2-Chlorobuta-1,3-diene
Chemical formula	C4H5Cl
Molecular mass	88.54 g/mol
CAS number	[126-99-8]
Density	0.96 g/ml
Melting point	−130 °C
Boiling point	59.4 °C
SMILES	C=C(Cl)C=C
Disclaimer and references

• International Chemical Safety Card 0133
• NIOSH Pocket Guide to Chemical Hazards 0133
• European Chemicals Bureau
• IARC Monograph "Chloroprene."

Category:IARC Group 2B carcinogens

[edit] Cyclohexene

Physchim62/Organics/Sandbox
Systematic name	Cyclohexene Formula=C6H10
Molar mass	82.15 g/mol
CAS number	[110-83-8]
Density	0.811 g/ml
Melting point	−104 °C
Boiling point	83 °C
SMILES	C1C=CCCC1
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 1054
• NIOSH Pocket Guide to Chemical Hazards 0167

[edit] Diisopropyl ether

{{Chembox new|

ImageFile=Diisopropy_ether_chemical_structure.png|
Formula=C6H14O|
MolarMass=102.18 g/mol|
CASNo=108-20-3|
Density=0.725 g/ml|
MeltingPt=−60 °C|
BoilingPt=69 °C|
SMILES=CC(C)OC(C)C|
Section1=! align="center" cellspacing="3" style="border: 1px solid #C0C090; background-color: #F8EABA; margin-bottom: 3px;" colspan="2" | Hazards

|- | MSDS | External MSDS |- | EU classification | Flammable (F) |-

| NFPA 704 |

|- | R-phrases | R11, R19, R66, R67 |- | S-phrases | S2, S9, S16, S29, S33 |-

| Flash point | −28 °C |- | Autoignition
temperature | 443 °C |- | Explosive limits | 1.4–7.9% |-

• International Chemical Safety Card 0906
• European Chemicals Bureau

[edit] Dimethylamine

Function=amine

Physchim62/Organics/Sandbox
General
Systematic name	Dimethylamine
Molecular formula	C2H7N
Molar mass	45.08 g/mol
Appearance	Colorless gas with pungent odor
CAS number	[124-40-3]
SMILES	CNC
Properties
Density	1.883 kg/m3 (21 °C, 1 atm)
Solubility in Water	354 g/100 ml
Melting point	−92.2 °C
Boiling point	7 °C
Dipole moment	?
Thermochemistry
Std enthalpy of formation ΔfHo298	? kJ/mol
Standard molar entropy So298	? J/K/mol
Hazards
MSDS	External MSDS
EU classification	Highly flammable (F+) Harmful (Xn)
NFPA 704
R-phrases	R12, R20, R37/38, R41
S-phrases	S2, S16, S26, S39
Flash point	Flammable gas
Autoignition temperature	400 °C
Explosive limits	2.8–14.4%
RTECS number	IP8750000
Supplementary data page
Structure and properties	n, εr, etc.
Thermodynamic data	Phase behaviour Solid, liquid, gas
Spectral data	UV, IR, NMR, MS
Related Compounds
Related [[{{{par_label}}}]]s	Methylamine Trimethylamine Diethylamine
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0260 (gas)
• International Chemical Safety Card 1485 (aqueous solution)
• NIOSH Pocket Guide to Chemical Hazards 0219
• Properties from Air Liquide

[edit] Dimethyl terephthalate

Physchim62/Organics/Sandbox
Chemical name	Physchim62/Organics/Sandbox
Chemical formula	C6H4(COOCH3)2
Molecular mass	194.19 g/mol
CAS number	[120-61-6]
Density	1.2 g/cm3
Melting point	140 °C
Boiling point	288 °C
SMILES
Disclaimer and references

International Chemical Safety Card 0262

[edit] Dioctyl adipate

Physchim62/Organics/Sandbox
[[Image:{{{PAGENAME}}}.png|200px|Physchim62/Organics/Sandbox]]
Chemical name	Physchim62/Organics/Sandbox
Chemical formula	C22H42O4
Molecular mass	370.57 g/mol
CAS number	[103-23-1]
Density	0.92 g/ml
Melting point	−67.8 °C
Boiling point	214 °C (0.67 kPa)
SMILES
Disclaimer and references

• International Chemical Safety Card 1292
• IARC Monograph "Di(2-ethylhexyl) adipate."

Category:IARC Group 3 carcinogens

[edit] Diphenylamine

Physchim62/Organics/Sandbox
Systematic name	Diphenylamine
Molecular formula	C12H11N
Molar mass	169.23 g/mol
CAS number	[122-39-4]
Density	1.2 g/cm3
Solubility in Water	Insoluble
Melting point	53 °C
Boiling point	302 °C
SMILES	c1ccccc1Nc2ccccc2
Hazards
MSDS	External MSDS
EU classification	Toxic (T) Dangerous for the environment (N)
NFPA 704
R-phrases	R23/24/25, R33, R50/53
S-phrases	S1/2, S28, S36/37, S45, S60, S61
Flash point	153 °C
Autoignition temperature	634 °C
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0466
• NIOSH Pocket Guide to Chemical Hazards 0240
• European Chemicals Bureau

[edit] Ethylenediamine

Physchim62/Organics/Sandbox
Image:Ethylene dimaine.png
Systematic name	1,2-Diaminoethane
Molecular formula	C2H8N2
Molar mass	60.10 g/mol
CAS number	[107-15-3]
Density	0.899 g/ml
Solubility in Water	Miscible
Melting point	8.5 °C
Boiling point	117 °C
SMILES	NCCN
Hazards
MSDS	External MSDS
EU classification	Corrosive (C)
NFPA 704
R-phrases	R10, R21/22, R34, R42/43
S-phrases	S1/2, S23, S26, S36/37/39, S45
Flash point	34 °C
Autoignition temperature	385 °C
Explosive limits	2.5–16.6%
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0269
• European Chemicals Bureau

[edit] Ethylene glycol

Physchim62/Organics/Sandbox
General
Systematic name	Ethane-1,2-diol
Molecular formula	C2H6O2
Molar mass	62.07 g/mol
Appearance	Colorless liquid
CAS number	[107-21-1]
SMILES	OCCO
Properties
Density	1.113 g/ml
Solubility in Water	Miscible
Melting point	−12.9 °C
Boiling point	197.3 °C
Thermochemistry
Std enthalpy of formation ΔfHo298	? kJ/mol
Standard molar entropy So298	? J/K/mol
Hazards
MSDS	External MSDS
EU classification	Harmful (Xn)
NFPA 704
R-phrases	R22
S-phrases	S2
Flash point	111 °C
Autoignition temperature	398 °C
Explosive limits	3.2–15.3%
Supplementary data page
Structure and properties	n, εr, etc.
Thermodynamic data	Phase behaviour Solid, liquid, gas
Spectral data	UV, IR, NMR, MS
Related Compounds
Related compounds	Glyoxal Oxalic acid
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 0270
• NIOSH Pocket Guide to Chemical Hazards 0272
• Institut national de recherche et de sécurité (1997). "Éthylène-glycol." Fiche toxicologique n° 25. Paris:INRS. (PDF file, in French)
• European Chemicals Bureau

[edit] Ethylene glycol dimethacrylate

Physchim62/Organics/Sandbox
Molecular formula	C10H14O4
Molar mass	198.22 g/mol
CAS number	[97-90-5]
Density	1.05 g/ml
Melting point	−40 °C
Boiling point	260 °C
SMILES	C=C(C)C(=O)OCCOC(=O)C(C)=C
Hazards
MSDS	External MSDS
EU classification	Irritant (Xi)
R-phrases	R37, R43
S-phrases	S2, S24, S37
Flash point	101 °C
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

• International Chemical Safety Card 1270
• European Chemicals Bureau

[edit] Ethylene glycol dinitrate

Chembox new

• ICSC
• ecb

[edit] M-Phenylenediamine

Chembox new

• ICSC
• ecb

[edit] P-Phenylenediamine

Chembox new

• ICSC
• PGCH
• ecb

[edit] Piperazine

Chembox new

• ICSC
• PGCH
• ecb

[edit] Propionaldehyde

Chembox new

• ICSC
• ecb

[edit] Propionitrile

Chembox new

• ICSC
• PGCH

[edit] Propyl acetate

Chembox new

• ICSC
• PGCH
• INRS
• ecb

[edit] Propylamine

Chembox new ICSC

[edit] Propylene glycol

Chembox new

• ICSC
• INRS

[edit] Propylene oxide

Chembox organic

• ICSC
• PGCH
• ecb
• IARC Monograph "Propylene oxide."

Category:IARC Group 2B carcinogens

[edit] Stearic acid

Chembox organic ICSC

[edit] Thiophenol

Chembox organic ICSC

[edit] Triazole

Chembox organic

• ICSC
• ecb

[edit] Trichloroethylene

Chembox organic

check melting point

• ICSC
• PGCH
• INRS
• ecb
• IARC Monograph "Trichloroethylene."

Category:IARC Group 2A carcinogens

[edit] Trimethylamine

Chembox organic

• ICSC
• PGCH

[edit] 2,4,6-Trinitrotoluene

Chembox organic

• ICSC
• PGCH
• ecb
• IARC Monograph "2,4,6-Trinitrotoluene."

Category:IARC Group 3 carcinogens

[edit] Vinyl chloride

Chembox organic

• ICSC
• PGCH
• ecb
• IARC Monograph "Vinyl chloride."

Category:IARC Group 1 carcinogens

[edit] O-Xylene

Chembox organic

• ICSC
• PGCH
• INRS
• ecb
• IARC Monograph "Xylenes."

Category:IARC Group 3 carcinogens

[edit] M-Xylene

Chembox organic

• ICSC
• PGCH
• INRS
• ecb
• IARC Monograph "Xylenes."

Category:IARC Group 3 carcinogens

[edit] P-Xylene

Chembox organic

• ICSC
• PGCH
• INRS
• ecb
• IARC Monograph "Xylenes."

Category:IARC Group 3 carcinogens