(Chlorodifluoromethyl)benzene

HCID 67679

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 349-50-8
Standard SMILES: FC(F)(Cl)c1ccccc1
InChIKey: RPSUKAMDJCKXAF-UHFFFAOYSA-N
Molecular formula: C7H5ClF2
Average molar mass: 162.56 g/mol
Monoisotopic mass: 162.00478428

Names & identifiers

Preferred name: (Chlorodifluoromethyl)benzene
IUPAC: [chloro(difluoro)methyl]benzene
English name: (Chlorodifluoromethyl)benzene
Molecular formula: C7H5ClF2
Molecular weight: 162.56

Names & synonyms

(Chlorodifluoromethyl)benzeneRefChem:405999349-50-8[chloro(difluoro)methyl]benzeneBenzene, (chlorodifluoromethyl)-MFCD01679709Toluene, alpha-chloro-alpha,alpha-difluoro-Benzene,(chlorodifluoromethyl)-Difluorbenzylchlorid[Chlorodi(fluoro)methyl]benzeneSCHEMBL4219815SCHEMBL5402633

Show more names

difluorochlorotoluenea-Chloro-a,a-difluorotolueneDiflluorochloromethylbenzoyl(chlorodifluoromethyl)-benzen1-(Chlorodifluoromethyl)benzenealpha-chloro-alpha,alpha-difluoro-toluenalpha-Chloro-alpha,alpha-difluorotoluene

SCHEMBL5402636SCHEMBL8554327(chloro-difluoro-methyl)-benzeneDTXSID40188452RPSUKAMDJCKXAF-UHFFFAOYSA-N(Chlorodifluoromethyl)benzene, 96%SBB087652AKOS005256030

Database identifiers

CAS: 349-50-8
PubChem CID: 67679
DTXSID: DTXSID40188452
EC Number: 803-641-1
Nikkaji: J31.780B

Properties

Computed structural properties

XLogP: 3.3
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

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Boiling point: 142.6 ℃ · 142.6℃
Density: 1.233 g/mL · 1.233 g/mL at 25 °C
refractive index: 1.4648 · 1.4648 (589.3 nm 20℃)
Flash point: 47.3 · 47.3±19.4℃
form: liquid
color: Clear, colourless
InChI: 1S/C7H5ClF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey: RPSUKAMDJCKXAF-UHFFFAOYSA-N
SMILES: FC(F)(Cl)c1ccccc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: WGK 3
hs_code: 2902900000
Toxicity: frog,LDLo,subcutaneous,1138mg/kg (1138mg/kg),AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC,Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 130, Pg. 250, 1928.
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: Xi
hazard_class: IRRITANT
Storage Class: 3 - Flammable liquids
target organs: Respiratory system
Hazard statements: H226-H302-H315-H319-H330-H335
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemistry & industry

Upstream & downstream products

Downstream products

(Difluoromethyl)benzene

Suppliers13 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Aladdin Scientific[email protected]

上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…