CAS 75462-59-8 1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene (HCID 123576)

Names & identifiers

Preferred name: 1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
English name: 3,5-Bis(trifluoromethyl)benzyl chloride
Molecular formula: C9H5ClF6
Molecular weight: 262.58

Names & synonyms

3,5-Bis(trifluoromethyl)benzyl chloride75462-59-81-(Chloromethyl)-3,5-bis(trifluoromethyl)benzeneEINECS 278-216-1DTXSID90226393RefChem:427473DTXCID90148884278-216-1MFCD00009906Benzene, 1-(chloromethyl)-3,5-bis(trifluoromethyl)-1-chloromethyl-3,5-bis(trifluoromethyl)benzene3,5-di(Trifluoromethyl)benzyl chloride

Show more names

3,5-Bis(trifluoromethyl)benzyl choride3,5-Bis(trifluoromethyl)benzylchloride99%3,5-Bis(trifluoromethyl)benzyl Chloride >3,5-Bis(trifluoromethyl)benzyl chloride 99%3,5-Bis(trifluoromethyl)-1-(chloromethyl)benzene3,5-Bis(trifluoromethyl)benzyl chloride ISO 9001：2015 REACH

3,5-bis-(trifluoromethyl)benzyl chloride1,3-bis(trifluoromethyl)-5-(chloromethyl)benzene3,5-bis(trifluoromethyl)benzylchlorideSAX6LG73CSSCHEMBL1409383,5-bistrifluoromethylbenzyl chlorideCK2007SBB102592

Database identifiers

CAS: 75462-59-8
PubChem CID: 123576
DTXSID: DTXSID90226393
UNII: SAX6LG73CS
EC Number: 278-216-1
Nikkaji: J267.438F

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 211

Physicochemical properties

Melting point: 29 · 29-32 °C(lit.)
Boiling point: 46 °C · 46°C 3mm
Density: 1.4425 · 1.4425 (estimate)
Flash point: 161 °F · 161 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: powder to lump
color: White to Almost white
Water Solubility: Slightly soluble in water.
BRN: 656502 · 656502
InChI: InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChIKey: OINTXXMBRBLMHH-UHFFFAOYSA-N
SMILES: C(Cl)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference: 75462 · 75462-59-8(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,5-Bis(trifluoromethyl)benzyl chloride(75462-59-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H290-H318-H314
Precautionary statements: 210 · P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a-P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 kg · 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, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H227-H290-H318-H314
Limited Quantities: 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. 1B
Precautionary statements: P210-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

Uses3,5-Bis(trifluoromethyl)benzyl chloride has been used in the preparation of 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene. 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene, in 94% yield by an efficient nucleophilic substitution reaction between 3,5-bis-(trifluoromethyl)benzyl chloride, 4, and sodium azide.

Uses3,5-Bis(trifluoromethyl)benzyl chloride has been used in the preparation of 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene.