CAS 698-80-6 3,4-Difluorobenzyl Chloride (HCID 2736954)

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Basic information

CAS: 698-80-6
Standard SMILES: Fc1ccc(CCl)cc1F
InChIKey: VTGRVYJPIVZZGS-UHFFFAOYSA-N
Molecular formula: C7H5ClF2
Average molar mass: 162.56 g/mol
Monoisotopic mass: 162.0047842

Names & identifiers

Preferred name: 3,4-Difluorobenzyl Chloride
IUPAC: 4-(chloromethyl)-1,2-difluorobenzene
English name: 3,4-Difluorobenzyl chloride
Molecular formula: C7H5ClF2
Molecular weight: 162.56

Names & synonyms

3,4-Difluorobenzyl chloride698-80-6DTXSID20371729RefChem:270929DTXCID30322762671-872-34-(chloromethyl)-1,2-difluorobenzeneMFCD002362184-(chloromethyl)-1,2-difluoro-benzene3,4-Difluorobenzylchloride3,4-Difluor-benzylchloridBENZENE, 4-(CHLOROMETHYL)-1,2-DIFLUORO-

Show more names

3,4-Difluorobenzylchloride,98%3,4-Difluorobenzyl chloride 98%3,4-Difluorobenzyl chloride, 98% 5GR3,4-Difluorobenzyl chloride, 98% 25GR[(3,4-difluorophenyl)Methyl]chloranuidealpha-Chloro-3,4-difluorotoluene, 4-(Chloromethyl)-1,2-difluorobenzene

3,4-difluorobenzylchloride;3,4-difluorobenzyl chloride;EBD9353051-(chloromethyl)-3,4-difluorobenzene4-chloromethyl-1,2-difluoro-benzene;SCHEMBL1503157SCHEMBL29489387VTGRVYJPIVZZGS-UHFFFAOYSA-N

Database identifiers

CAS: 698-80-6
PubChem CID: 2736954
DTXSID: DTXSID20371729
EC Number: 671-872-3
Nikkaji: J1.212.496A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 52 · 52-53 °C
Boiling point: 28 °C · 28 °C
Density: 1.294 · 1.294±0.06 g/cm3(Predicted)
refractive index: 1.49 · 1.49
Flash point: 27 · 27-29°C/0.4mm
storage temp.: Inert atmosphere,Room Temperature
form: Liquid
color: Clear colorless to faintly yellow
Sensitive: Lachrymatory
CAS DataBase Reference: 698 · 698-80-6(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.