5-Bromo-2-chlorotoluene

HCID 609899
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Basic information

CAS
54932-72-8
Standard SMILES
Cc1cc(Br)ccc1Cl
InChIKey
OZFQMHJKAODEON-UHFFFAOYSA-N
Molecular formula
C7H6BrCl
Average molar mass
205.48 g/mol
Monoisotopic mass
203.93413997

Names & identifiers

Preferred name
5-Bromo-2-chlorotoluene
IUPAC
4-bromo-1-chloro-2-methylbenzene
English name
5-BROMO-2-CHLOROTOLUENE
Molecular formula
C7H6BrCl
Molecular weight
205.48

Names & synonyms

5-Bromo-2-chlorotoluene54932-72-8DTXSID30346140RefChem:533155DTXCID20297213611-212-34-Bromo-1-chloro-2-methylbenzeneMFCD00018503Benzene, 4-bromo-1-chloro-2-methyl-SCHEMBL264070OZFQMHJKAODEON-UHFFFAOYSA-4-bromo-1-chloro-2-methyl-benzene
Show more names
2-chloro-bromotoluene5-BROMO-3-CHLOROTOLUENE5-Bromo-2-chlorotoluene99%5-Bromo-2-chlorotoluene >5-Bromo-2-chlorotoluene 98%5-Bromo-2-chlorotoluene,98%5-Bromo-2-chlorotoluene, 97+%
4-Bromo-1-chloro-2-methylbenzene #AKOS015834792PS-8100B30022-Chloro-5-bromotolueneAM61596A196495-Bromo-2-chlorotoluene, 98

Database identifiers

CAS
54932-72-8
PubChem CID
609899
DTXSID
DTXSID30346140
EC Number
611-212-3
Nikkaji
J31.744F

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
98 · 98-100 °C/25 mmHg (lit.)
Density
1.55 g/mL · 1.55 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.575(lit.)
Flash point
96 °C · 96°C
storage temp.
Sealed in dry,Room Temperature
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (10%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 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 CategoriesFlam. Liq. 3 (10%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29039990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses5-Bromo-2-chlorotoluene serves as a precursor for synthesizing 5-bromo-2-chlorobenzyl bromide via bromination with N-bromosuccinimide and benzoyl peroxide[3]. It reacts with n-butyllithium followed by anhydroecgonine oxadiazole to prepare 3β-(4-chloro-3-methylphenyl)-2β-(3-methyl-1,2,4-oxadiazol-5-yl)tropane[4].

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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