CAS 3218-45-9 Benzeneacetonitrile, 2,3-dichloro- (HCID 229020)

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Basic information

CAS: 3218-45-9
Standard SMILES: N#CCc1cccc(Cl)c1Cl
InChIKey: CZLINJDTCHACEH-UHFFFAOYSA-N
Molecular formula: C8H5Cl2N
Average molar mass: 186.03 g/mol
Monoisotopic mass: 184.97990452

Names & identifiers

Preferred name: Benzeneacetonitrile, 2,3-dichloro-
IUPAC: 2-(2,3-dichlorophenyl)acetonitrile
English name: 2,3-Dichlorophenylacetonitrile
Molecular formula: C8H5Cl2N
Molecular weight: 186.04

Names & synonyms

Benzeneacetonitrile, 2,3-dichloro-RefChem:5629472-(2,3-dichlorophenyl)acetonitrile3218-45-92,3-Dichlorophenylacetonitrile2,3-Dichlorobenzyl CyanideMFCD01861392(2,3-dichlorophenyl)acetonitrileSCHEMBL3108472-(2,3-dichlorophenyl)ethanenitrileAKOS006346221CS-W016925

Show more names

2,3-DichlorobenzylCyanide>2,3-DICHLOROPHENYLACETONITRILE2,3-Dichlorobenzene acetonitrile2,3-Dichlorophenylacetonitrile,99%

AS-13418D2945AJ-087/418856592,3-Dichlorobenzylcyanide2-(2,3-dichlorophenyFT-0634727SCHEMBL29763190DTXSID30281648

Database identifiers

CAS: 3218-45-9
PubChem CID: 229020
DTXSID: DTXSID30281648
EC Number: 680-148-6
Nikkaji: J2.649.908I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 66 · 66-69 °C
Boiling point: 115 °C · 115°C 1mm
Density: 1.333 · 1.333±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Almost white
CAS DataBase Reference: 3218 · 3218-45-9(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzeneacetonitrile, 2,3-dichloro-

Hazard Classes and CategoriesAcute Tox. 3 (66.7%)

Safety data

ridadr: 3439
hs_code: 2926907090
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501