1-(Chloromethyl)-2-(trifluoromethyl)benzene (HCID 89028)

Names & identifiers

Preferred name: 1-(Chloromethyl)-2-(trifluoromethyl)benzene
IUPAC: 1-(chloromethyl)-2-(trifluoromethyl)benzene
English name: 2-(Trifluoromethyl)benzyl chloride
Molecular formula: C8H6ClF3
Molecular weight: 194.58

Names & synonyms

21742-00-71-(Chloromethyl)-2-(trifluoromethyl)benzene2-trifluoromethylbenzyl chlorideEINECS 244-560-6DTXSID20176135RefChem:427463DTXCID1098626244-560-62-(Trifluoromethyl)benzyl chlorideBenzene, 1-(chloromethyl)-2-(trifluoromethyl)-MFCD00009920o-trifluoromethylbenzyl chloride

Show more names

TIMTEC-BB SBB006695α'-chloro-α,α,α-trifluoro-o-xyleneà'-chloro-à,à,à-trifluoro-o-xyleneo-(Trifluoromethyl)Benzyl Chlorideo-Xylene, a'-chloro-a,a,a-trifluoro-2-(Trifluoromethyl)benzylchloride97%2-(Trifluoromethyl)benzyl chloride 97%2-(Trifluoromethyl)benzyl chloride, 98+%

2-(trifluoromethyl)benzylchlorideHQG6P6N5XD2-trifluoromethylbenzylchlorideSCHEMBL121915SCHEMBL52866072-(Chloromethyl)benzotrifluorideSCHEMBL27937767SCHEMBL29560223

Database identifiers

CAS: 21742-00-7
PubChem CID: 89028
DTXSID: DTXSID20176135
UNII: HQG6P6N5XD
EC Number: 244-560-6
Nikkaji: J225.428J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 67 · 67-68°C 12mm
Density: 1.337 g/mL · 1.337 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.469(lit.)
Flash point: 158 °F · 158 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 1.337 · 1.337
Sensitive: Lachrymatory
BRN: 389380 · 389380
InChI: 1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey: BBXDMCQDLOCXRA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccccc1CCl
CAS DataBase Reference: 21742 · 21742-00-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335-H227-H318
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310-P210e-P260h-P303+P361+P353-P405-P501a
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 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 46 reports by companies from 6 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-H227-H318
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P280-P305+P351+P338-P310-P210e-P260h-P303+P361+P353-P405-P501a