Chlorophenyl isocyanate (HCID 76833)

Overview

structure in first source

Names & identifiers

Preferred name: Chlorophenyl isocyanate
IUPAC: 1-chloro-2-isocyanatobenzene
English name: 2-Chlorophenyl isocyanate
Molecular formula: C7H4ClNO
Molecular weight: 153.57

Names & synonyms

Chlorophenyl isocyanateRefChem:5624382-Chlorophenyl isocyanate3320-83-01-Chloro-2-isocyanatobenzeneo-Chlorophenyl isocyanate2-ChlorophenylisocyanateBenzene, 1-chloro-2-isocyanato-1-Chloro-2-isocyanato-benzeneIsocyanic acid, o-chlorophenyl esterMFCD00001999NSC 8761

Show more names

2-Chlorophenylo-chlorophenylcarbonimide2-chlorophenylcarbonimide2-ChlorophenylIsocyanate>1-chloro-2-isocyanato-benzen2-CHLOROPHENYL ISOCYANATE 99%2-Chlorophenyl isocyanate,99%

Isocyanic Acid 2-Chlorophenyl EsterEINECS 222-023-751134-03-3EC 222-023-72-chlorobenzenisocyanateBenzene, chloroisocyanato-Chloroisocyanatobenzenechlorophenylisocyanate

Database identifiers

CAS: 3320-83-0、51134-03-3
PubChem CID: 76833
DTXSID: DTXSID5062974
EC Number: 222-023-7、257-001-6
Nikkaji: J30.178G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 154

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 2 · 2-4 °C
Boiling point: 83 · 83-84 °C (10 mmHg)
Density: 1.273 g/mL · 1.273 g/mL at 25 °C(lit.)
refractive index: 1.5565 · 1.5565-1.5585
Flash point: 88 °C · 88 °C
solubility: Decomposes
form: liquid
color: Clear, colourless
Water Solubility: Decomposes
Sensitive: Moisture Sensitive/Lachrymatory
BRN: 386478 · 386478
InChI: InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey: NOHQUGRVHSJYMR-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=CC=C1N=C=O
CAS DataBase Reference: 3320 · 3320-83-0(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-chloro-2-isocyanato-(3320-83-0)
EPA Substance Registry System: 1 · Benzene, 1-chloro-2-isocyanato- (3320-83-0)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 227 · H227-H318-H334-H401-H411-H314-H317-H330
Precautionary statements: 303 · P303+P361+P353-P304+P340-P320-P405-P501a-P260-P280-P284-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T,C,N,T+
Risk Statements: 42 · 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26
Safety Statements: 45 · 45-38-36/37/39-28A-26-23-61-28
RIDADR: 2206 · 2206
WGK Germany: 2 · 2
Hazard Note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291090 · 29291090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 InhalationAquatic · Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A
REACH Registrations: Active
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5200

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
ridadr: 2206
hs_code: 29291090
risk_code: 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08,GHS09
hazard_code: T,C,N,T+
hazard_note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 45-38-36/37/39-28A-26-23-61-28
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H227-H318-H334-H401-H411-H314-H317-H330
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A
Precautionary statements: P303+P361+P353-P304+P340-P320-P405-P501a-P260-P280-P284-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-chloro-2-isocyanato-: ACTIVE

Applications · 1 item

Uses2-Chlorophenyl isocyanate has been used:as standard to investigate the photocatalytic degradation of Monuron over TiO2 suspensionsin the preparation of 2-(2-chlorophenylamino)-3,5-dihydro-5,5-dimethyl-3-phenyl-6H-imidazo[1,2-b]-1,2,4-triazol-6-onein synthesis of pentenylated β-cyclodextrin chlorophenyl carbamates