3-Chloro-4-methylphenyl isocyanate Structure

3-Chloro-4-methylphenyl isocyanate

Chemical Properties

Melting point 20-24℃
Boiling point 107 °C/3 mmHg (lit.)
Density  1.224 g/mL at 25 °C (lit.)
vapor pressure  13.5Pa at 25℃
refractive index  n20/D 1.557(lit.)
Flash point 229 °F
storage temp.  2-8°C
form  Liquid or Low Melting Solid
color  Colorless to yellow
Sensitive  Moisture Sensitive
BRN  2690771
InChI 1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChIKey UKTKKMZDESVUEE-UHFFFAOYSA-N
SMILES Cc1ccc(cc1Cl)N=C=O
LogP 3.78
CAS DataBase Reference 28479-22-3(CAS DataBase Reference)
EPA Substance Registry System 3-Chloro-4-methylphenyl isocyanate (28479-22-3)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H330-H314-H334-H335-H226
Precautionary statements P501-P260-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P342+P311-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38-42
Safety Statements  23-26-36/37-45
RIDADR  UN 2236 6.1/PG II (3-CHLORO-4-METHYLPHENYL ISOCYANATE, LIQUID)
RIDADR  UN 3428 6.1/PG II (3-CHLORO-4-METHYLPHENYL ISOCYANATE, SOLID)
WGK Germany  1
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29291090
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1
STOT SE 3
NFPA 704:
1
4 0

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3-Chloro-4-methylphenyl isocyanate Spectrum