CAS 65796-00-1 4-(Trifluoromethoxy)benzyl Chloride (HCID 2777261)

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Basic information

CAS: 65796-00-1
Standard SMILES: FC(F)(F)Oc1ccc(CCl)cc1
InChIKey: LBMKFQMJURUPKC-UHFFFAOYSA-N
Molecular formula: C8H6ClF3O
Average molar mass: 210.58 g/mol
Monoisotopic mass: 210.00592715

Names & identifiers

Preferred name: 4-(Trifluoromethoxy)benzyl Chloride
IUPAC: 1-(chloromethyl)-4-(trifluoromethoxy)benzene
English name: 4-(Trifluoromethoxy)benzyl chloride
Molecular formula: C8H6ClF3O
Molecular weight: 210.58

Names & synonyms

4-(Trifluoromethoxy)benzyl Chloride65796-00-1DTXSID40380439RefChem:289509DTXCID80331465642-554-11-(Chloromethyl)-4-(trifluoromethoxy)benzeneMFCD00052326[4-(chloromethyl)phenoxy]trifluoromethaneBenzene, 1-(chloromethyl)-4-(trifluoromethoxy)-alpha-Chloro-4-(trifluoromethoxy)tolueneSCHEMBL543036

Show more names

Pretomanid Impurity 21-(chloroMethyl)-3-(trifluoroMethoxy)benzeneuoromethoxy)benzyL4-trifluoromethoxylbenzylchloride4-trifluoromethhoxybenzyl chlorideα-Chloro-4-(trifluoromethoxy)toluene4-(Trifluoromethoxy)benzylchloride97%4-(Trifluoromethoxy)benzyl chloride 97%

SCHEMBL1008825p-trifluoromethoxybenzyl chloride4-triflouromethoxybenzyl chloride4-trifluoromethoxybenzyl chlorideSBB094395STL145783AKOS000262290CS-W002250

Database identifiers

CAS: 65796-00-1
PubChem CID: 2777261
DTXSID: DTXSID40380439
EC Number: 642-554-1

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 152

Physicochemical properties

Boiling point: 72 °C · 72 °C
Density: 1.34 · 1.34
refractive index: 1.452 · 1.4520-1.4560
storage temp.: Refrigerator
form: clear liquid
color: Colorless to Almost colorless
InChI: 1S/C8H6ClF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey: LBMKFQMJURUPKC-UHFFFAOYSA-N
SMILES: ClCC1=CC=C(OC(F)(F)F)C=C1
CAS DataBase Reference: 65796 · 65796-00-1(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H290-H314-H318
Precautionary statements: 305 · P305+P351+P338-P309-P310-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (14.3%)

Safety data

ridadr: 1760
hs_code: 2909309090
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: 11 - Combustible Solids
packing_group: III
Hazard statements: H227-H290-H314-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: Acute Tox. 4 Oral