CAS 25550-53-2 1,2-Dichloro-3-isocyanatobenzene (HCID 33050)

Names & identifiers

Preferred name: 1,2-Dichloro-3-isocyanatobenzene
IUPAC: 1,2-dichloro-3-isocyanatobenzene
English name: 2,3-Dichlorophenyl isocyanate
Molecular formula: C7H3Cl2NO
Molecular weight: 188.01

Names & synonyms

2,3-Dichlorophenyl isocyanate1,2-Dichloro-3-isocyanatobenzeneBenzene, 1,2-dichloro-3-isocyanato-FYWJWWMKCARWQG-UHFFFAOYSA-EINECS 255-253-1RefChem:411587255-253-1InChI=1/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H41195-90-82,3-DichlorophenylisocyanateBenzene, dichloroisocyanato-MFCD00002000

Show more names

2,3-Dichlorophenyl2 3-DICHLOROPHENYL CARBIMIDE2,3-dichlorphenyl isocyanate2,3-DichlorophenylIsocyanate>1,2-dichloro-3-phenylisocyanate2 3-DICHLOROPHENYL CARBIMIDE 99%2,3-Dichlorophenyl isocyanate 97%2,3-Dichlorophenyl isocyanate,97%

1,2-dichloro-3-isocyanato-benzeneDichlorphenylisocyanate25550-53-22,3 dichlorophenylisocyanateIsocyanic Acid 2,3-Dichlorophenyl EsterAS-75594BP-11192EN300-146879

Database identifiers

CAS: 25550-53-2、41195-90-8
PubChem CID: 33050
DTXSID: DTXSID901358229
EC Number: 255-253-1
Nikkaji: J30.181G

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

Boiling point: 58 °C · 58°C 1mm
Density: 1.424 g/mL · 1.424 g/mL at 25 °C(lit.)
refractive index: 1.5774 · 1.5774-1.5794
Flash point: 110 °C · >110°C
storage temp.: 0 · 0-6°C
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: decomposes
Sensitive: Moisture Sensitive
BRN: 4669222 · 4669222
InChI: 1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChIKey: FYWJWWMKCARWQG-UHFFFAOYSA-N
SMILES: Clc1cccc(N=C=O)c1Cl
CAS DataBase Reference: 41195 · 41195-90-8(CAS DataBase Reference)
EPA Substance Registry System: 1 · Benzene, 1,2-dichloro-3-isocyanato- (41195-90-8)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 300 · H300-H315-H319-H330-H334-H335
Precautionary statements: 301 · P301+P310a-P304+P340-P305+P351+P338-P320-P330-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 42 · 42-36/37/38-23/24/25
Safety Statements: 45 · 45-38-36/37/39-28A-26-23
RIDADR: 2250 · 2250
WGK Germany: 3 · WGK 3
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291000 · 29291000
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 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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

H301 (93.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, 1,2-dichloro-3-isocyanato-

Hazard Classes and CategoriesAcute Tox. 3 (93.8%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: WGK 3
ridadr: 2250
hs_code: 29291000
risk_code: 42-36/37/38-23/24/25
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: T
safety_code: 45-38-36/37/39-28A-26-23
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-H315-H319-H330-H334-H335
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P301+P310a-P304+P340-P305+P351+P338-P320-P330-P405-P501a