CAS 2612-57-9 2,4-Dichlorophenyl isocyanate (HCID 75789)

Names & identifiers

Preferred name: 2,4-Dichlorophenyl isocyanate
IUPAC: 2,4-dichloro-1-isocyanatobenzene
English name: 2,4-Dichlorophenyl isocyanate
Molecular formula: C7H3Cl2NO
Molecular weight: 188.01

Names & synonyms

2,4-Dichlorophenyl isocyanateBenzene, 2,4-dichloro-1-isocyanato-EINECS 220-040-4DTXSID9074563EC 220-040-4RefChem:82394DTXCID0037449220-040-4OLBJNSPBWLCTOT-UHFFFAOYSA-N2612-57-92,4-Dichloro-1-isocyanatobenzene2,4-Dichlorophenylisocyanate

Show more names

TIMTEC-BB SBB0067202,4-Dichlorophenyl Isocyate2,4-DICHLOROISOCYANATOBENZENE2,4-dichlorobenzene isocyanate2,4-dichloro-1-phenylisocyanate1,3-dichloro-4-phenylisocyanate1,3-dichloro-4-isocyanatobenzene2,4-Dichlorophenylisocyanate-96%

2,4-DichlorophenylisocyantaeMFCD000020012,4-dichlorobenzenisocyanate2,4-Dichlorophenyl isocyantaeIsocyanic Acid 2,4-Dichlorophenyl Ester2,4-dichlorphenyl isocyanateSCHEMBL2276142,4-dichloro phenyl isocyanate

Database identifiers

CAS: 2612-57-9
PubChem CID: 75789
DTXSID: DTXSID9074563
EC Number: 220-040-4
Nikkaji: J192.118E

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 59 · 59-60 °C
Boiling point: 80 °C · 80°C 1mm
Density: 1.3256 · 1.3256 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
Flash point: 80 °C/1mm · 80°C/1mm
storage temp.: 20 °C · Store at <= 20°C.
form: powder to crystal
color: White to Light yellow to Light orange
Water Solubility: decomposes
Sensitive: Moisture Sensitive
BRN: 2090780 · 2090780
InChI: 1S/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey: OLBJNSPBWLCTOT-UHFFFAOYSA-N
SMILES: Clc1ccc(N=C=O)c(Cl)c1
CAS DataBase Reference: 2612 · 2612-57-9(CAS DataBase Reference)
EPA Substance Registry System: 2 · Benzene, 2,4-dichloro-1-isocyanato- (2612-57-9)
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 300 · H300-H330-H301+H311+H331-H315-H317-H319-H334-H335
Precautionary statements: 301 · P301+P310a-P304+P340-P320-P330-P405-P501a-P261-P280-P301+P310-P305+P351+P338-P311
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 42 · 42-36/37/38-23/24/25-42/43
Safety Statements: 45 · 45-38-36/37/39-28A-26-22
RIDADR: 2250 · 2250
WGK Germany: 3 · 3
Hazard Note: Irritant
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: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
REACH Registrations: Active
Limited Quantities: 0.5 Kg · 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

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 27-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5199

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: 2250
hs_code: 29291090
risk_code: 42-36/37/38-23/24/25-42/43
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 45-38-36/37/39-28A-26-22
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H300-H330-H301+H311+H331-H315-H317-H319-H334-H335
Limited Quantities: 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. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P301+P310a-P304+P340-P320-P330-P405-P501a-P261-P280-P301+P310-P305+P351+P338-P311