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1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene

HCID 22754136
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
69902-84-7
Standard SMILES
FC(F)(F)c1cccc(Br)c1CBr
InChIKey
HMPNGWMCGUPJFD-UHFFFAOYSA-N
Molecular formula
C8H5Br2F3
Average molar mass
317.93 g/mol
Monoisotopic mass
315.87100902

Names & identifiers

Preferred name
1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene
IUPAC
1-bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene
English name
1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene
Molecular formula
C8H5Br2F3
Molecular weight
317.93

Names & synonyms

69902-84-71-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzeneDTXSID30628094RefChem:75050DTXCID70578847964-416-22-Bromo-6-(trifluoromethyl)benzyl bromideMFCD12026460SCHEMBL11520584UCA90284CL9539AKOS027342409
Show more names
HMPNGWMCGUPJFD-UHFFFAOYSA-NBenzene, 1-bromo-2-(bromomethyl)-3-(trifluoromethyl)-3-Bromo-2-(bromomethyl)benzotrifluoride, 1-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene
2-bromo-6-trifluoromethylbenzyl bromideAS-46397SY337386DB-092982EN300-3091980F5000691-Bromo-2-(bromomethyl)-3-(trifluoromethyl)benzene, AldrichCPR

Database identifiers

CAS
69902-84-7
PubChem CID
22754136
DTXSID
DTXSID30628094
EC Number
964-416-2

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
169

Physicochemical properties

form
liquid
color
Clear, colourless
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H320-H335
Precautionary statements
264 · P264-P270-P301+P312-P330
HS Code
2916399090 · 2916399090

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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H320-H335
Precautionary statements
P264-P270-P301+P312-P330

Chemistry & industry

Suppliers9 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]

Related reactions

4 records
New reaction record
HRID 154196 reaction equation
HRID 154196As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1425939 reaction equation
HRID 1425939As productuspto-grants-2015_01
HRID 1425940 reaction equation
HRID 1425940As reactantuspto-grants-2015_01
HRID 2163158 reaction equation
HRID 2163158As productuspto-grants-1979_01

Compound notes

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