CAS 30280-44-5 1-Chloro-4-(isocyanatomethyl)benzene (HCID 3372379)

Names & identifiers

Preferred name: 1-Chloro-4-(isocyanatomethyl)benzene
IUPAC: 1-chloro-4-(isocyanatomethyl)benzene
English name: 4-Chlorobenzyl isocyanate 97
Molecular formula: C8H6ClNO
Molecular weight: 167.59

Names & synonyms

1-chloro-4-(isocyanatomethyl)benzeneRefChem:431384626-062-44-Chlorobenzyl isocyanate30280-44-5Benzene, 1-chloro-4-(isocyanatomethyl)-MFCD040399104-chlorobenzylisocyanate4-chloro-benzylisocyanate4-chloro benzyl isocyanate4-Chloro-benzyl isocyanate4-Chlorophenylmethylisocyanate

Show more names

4-Chlorobenzyl isocyanate 974-Chlorobenzyl isocyanate 97%-chloro-4-(isocyanatomethyl)benzene

SCHEMBL1517394-Chlorobenzyl isocyanate, 97%DTXSID10391895OAXSVEFCBLZGCA-UHFFFAOYSA-N1-Chloro-4-isocyanatomethyl-benzeneAKOS005208468SY204867DB-126871

Database identifiers

CAS: 30280-44-5
PubChem CID: 3372379
DTXSID: DTXSID10391895
EC Number: 626-062-4

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 233 · 233-234 °C(lit.)
Density: 1.265 g/mL · 1.265 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5460(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C8H6ClNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey: OAXSVEFCBLZGCA-UHFFFAOYSA-N
SMILES: Clc1ccc(CN=C=O)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-42
Safety Statements: 23 · 23-26-36
RIDADR: 2206 PSN2C · UN 2206PSN2C 6.1 / PGIII
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2206PSN2C 6.1 / PGIII
risk_code: 20/21/22-36/37/38-42
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 23-26-36
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H317-H319-H334-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338