CAS 87417-71-8 4-Chloro-1-(chloromethyl)-2-fluorobenzene (HCID 14877933)

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Basic information

CAS: 87417-71-8
Standard SMILES: Fc1cc(Cl)ccc1CCl
InChIKey: CMGAVHMLDNAXBU-UHFFFAOYSA-N
Molecular formula: C7H5Cl2F
Average molar mass: 179.02 g/mol
Monoisotopic mass: 177.9752337

Names & identifiers

Preferred name: 4-Chloro-1-(chloromethyl)-2-fluorobenzene
IUPAC: 4-chloro-1-(chloromethyl)-2-fluorobenzene
English name: 4-Chloro-2-fluorobenzyl chloride
Molecular formula: C7H5Cl2F
Molecular weight: 179.02

Names & synonyms

87417-71-84-chloro-1-(chloromethyl)-2-fluorobenzeneDTXSID20564952RefChem:291288DTXCID805157284-CHLORO-2-FLUOROBENZYL CHLORIDEMFCD03412453Benzene, 4-chloro-1-(chloromethyl)-2-fluoro-SCHEMBL5330355CMGAVHMLDNAXBU-UHFFFAOYSA-NSBB0895044-chloro-1-(chloromethyl)-2-fluorobenzene, alpha,4-dichloro-2-fluorotoluene

Show more names

4-CHLORO-2-FLUOROBENZYL CHLORID52-Fluoro-4-Chloro-BenzylChloro2-FLUORO-4-CHLOROBENZYL CHLORIDE4-Chloro-1-(chloromethyl)-2-fluorobenzene 98%

AKOS0093592344-chloro-1-chloromethyl-2-fluoro-benzeneAS-19692SY316746DB-0218894-Chloro-1-(chloromethyl)-2-fluorobenzene;EN300-1983096F222888

Database identifiers

CAS: 87417-71-8
PubChem CID: 14877933
DTXSID: DTXSID20564952
EC Number: 155-819-7

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 208.5 · 208.5±25.0 °C(Predicted)
Density: 1.343 · 1.343±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: liquid
color: Clear, colourless
Sensitive: Lachrymatory
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280
Hazard Codes: C
Hazard Note: Corrosive/Lachrymatory
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.