p-Trifluoromethylbenzyl chloride (HCID 123096)

Names & identifiers

Preferred name: p-Trifluoromethylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-(trifluoromethyl)benzene
English name: 4-Trifluoromethylbenzyl chloride
Molecular formula: C8H6ClF3
Molecular weight: 194.58

Names & synonyms

939-99-14-(Trifluoromethyl)benzyl chloridep-Trifluoromethylbenzyl chlorideCCRIS 5110DTXSID20239870RefChem:858258DTXCID70162361627-519-04-Trifluoromethylbenzyl chloride1-(chloromethyl)-4-(trifluoromethyl)benzeneMFCD00040772Benzene, 1-(chloromethyl)-4-(trifluoromethyl)-

Show more names

TIMTEC-BB SBB0066964-Trifluoromethylben4-Trifluormethylbenzyl chloride4-(Chloromethyl)benzotrifluorideα'-chloro-α,α,α-trifluoro-p-xyleneà'-chloro-à,à,à-trifluoro-p-xyleneP-(TRIFLUOROMETHYL)BENZYL CHLORIDEa'-Chloro-a,a,a-trifluoro- p-xylene

SCHEMBL543043SCHEMBL6769314-trifluoromethyl benzylchloride4-trifluoromethyl benzyl chloride4-trifluoromethyl-benzyl chlorideALBB-006036A'-chloro-A,A,A-trifluoro-p-xyleneSBB006696

Database identifiers

CAS: 939-99-1
PubChem CID: 123096
DTXSID: DTXSID20239870
EC Number: 627-519-0
Nikkaji: J474.240K

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 19 °C · 19 °C
Boiling point: 68 °C12 · 68 °C12 mm Hg(lit.)
Density: 1.315 g/mL · 1.315 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 165 °F · 165 °F
storage temp.: Refrigerator
form: clear liquid
color: Colorless to Almost colorless
Sensitive: Lachrymatory
BRN: 511085 · 511085
InChI: 1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
InChIKey: MCHDHQVROPEJJT-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CCl)cc1
CAS DataBase Reference: 939 · 939-99-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 23 · 23-26-27-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 BSTOT · Skin Corr. 1BSTOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

Uses4-(Trifluoromethyl)benzyl chloride may be used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids.

General DescriptionElectrochemical reduction of 4-(trifluoromethyl)benzyl chloride catalyzed by Co(salen) (H2salen, N,N′-bis(salicylidene)-ethane-1,2-diamine) in acetonitrile is reported.