CAS 39920-37-1 1,3-Dichloro-2-isocyanatobenzene (HCID 604537)

Names & identifiers

Preferred name: 1,3-Dichloro-2-isocyanatobenzene
IUPAC: 1,3-dichloro-2-isocyanatobenzene
English name: 2,6-Dichlorophenyl isocyanate
Molecular formula: C7H3Cl2NO
Molecular weight: 188.01

Names & synonyms

2,6-Dichlorophenyl isocyanate1,3-Dichloro-2-isocyanatobenzeneEINECS 254-699-4RefChem:414299254-699-439920-37-12,6-DICHLOROPHENYLISOCYANATEBenzene, 1,3-dichloro-2-isocyanato-MFCD00002003Isocyanic Acid 2,6-Dichlorophenyl Ester1,3-dichloro-2-isocyanato-benzene2,6 dichlorophenylisocyanate

Show more names

2,6-Dichlorophenyl2,6-DichlorophenylIsocyanate>1,3-dichloro-2-phenylisocyanate2,6-DICHLOROPHENYL ISOCYANATE 98%2,6-Dichlorophenyl isocyanate,98%2,6-Dichlorophenyl isocyanate, 98% 5GRIsocyanic acid-2，6-dichlorophenyl ester

2,6-dichlorobenzenisocyanate2,6dichlorophenyl isocyanate2.6-dichlorophenyl isocyanateSCHEMBL326586DTXSID4074568PBA920371,3-Dichloro-2-isocyanatobenzene #2,6-Dichlorophenyl isocyanate, 98%

Database identifiers

CAS: 39920-37-1
PubChem CID: 604537
DTXSID: DTXSID4074568
EC Number: 254-699-4
Nikkaji: J236.287B

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: 169

Physicochemical properties

Melting point: 43 · 43-45°C
Boiling point: 101 °C · 101°C 5mm
Density: 1 · 1,015 g/cm3
refractive index: 1.55 · 1.5500 (estimate)
Flash point: 76 °C · 76 °C
solubility: soluble in Toluene
form: powder to lump to clear liquid
color: White or Colorless to Almost white or Almost colorless
Water Solubility: decomposes
Sensitive: Moisture Sensitive
BRN: 608323 · 608323
InChI: 1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey: HMVKMAMIRAVXAN-UHFFFAOYSA-N
SMILES: Clc1cccc(Cl)c1N=C=O
CAS DataBase Reference: 39920 · 39920-37-1(CAS DataBase Reference)
EPA Substance Registry System: 1 · Benzene, 1,3-dichloro-2-isocyanato- (39920-37-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 300 · H300-H330-H334-H301+H311+H331-H315-H319-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
Risk Statements: 42 · 42-36/37/38-23/24/25
Safety Statements: 45 · 45-38-36/37/39-28A-26-22-27
RIDADR: 2250 · 2250
WGK Germany: 3 · 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. 2Skin Irrit. 2STOT SE 3
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, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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: 29291000
risk_code: 42-36/37/38-23/24/25
Signal word: Danger
Symbol(GHS): GHS08,GHS06
hazard_code: T
safety_code: 45-38-36/37/39-28A-26-22-27
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-H334-H301+H311+H331-H315-H319-H335
Limited Quantities: 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. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310a-P304+P340-P320-P330-P405-P501a-P261-P280-P301+P310-P305+P351+P338-P311