Basic information
- CAS
60811-21-4- Standard SMILES
Fc1ccc(Br)cc1Cl- InChIKey
CJTIWGBQCVYTQE-UHFFFAOYSA-N- Molecular formula
- C6H3BrClF
- Average molar mass
- 209.44 g/mol
- Monoisotopic mass
- 207.9090681
Names & identifiers
- Preferred name
- 4-Bromo-2-chloro-1-fluorobenzene
- IUPAC
- 4-bromo-2-chloro-1-fluorobenzene
- English name
- 4-Bromo-2-chloro-1-fluorobenzene
- Molecular formula
- C6H3BrClF
- Molecular weight
- 209.44
Names & synonyms
4-Bromo-2-chloro-1-fluorobenzene4-Bromo-2-chlorofluorobenzeneDTXSID20393481EC 405-580-2RefChem:519589DTXCID10344341405-580-2612-037-560811-21-41-Bromo-3-chloro-4-fluorobenzene3-chloro-4-fluorobromobenzene4-bromo-2-chloro-1-fluoro-benzene
Show more names
3-Chloro-4-fluorobenzobromide3-Chloro-4-fluorobromobenzene 98%oro-1-fLAKOS 919873-chloro-4-fluorobroMobezene1-Bromo-3-chloro-4-fluorobenze
MFCD000517943-Chloro-4-fluorobenzene bromideBenzene, 4-bromo-2-chloro-1-fluoro-4-bromo-2-chloro-fluorobenzeneSCHEMBL3306953-chloro-4-fluoro-bromobenzeneSCHEMBL1096957SCHEMBL23531228
Database identifiers
- CAS
60811-21-4- PubChem CID
- 3543065
- DTXSID
DTXSID20393481- EC Number
- 405-580-2、612-037-5
- Nikkaji
- J1.424.727K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Boiling point
- 194 °C · 194 °C(lit.)
- Density
- 1.727 g/mL · 1.727 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.553(lit.)
- Flash point
- 192 °F · 192 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.727 · 1.727
- BRN
- 2206652 · 2206652
- InChI
- 1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
- InChIKey
- CJTIWGBQCVYTQE-UHFFFAOYSA-N
- SMILES
- Fc1ccc(Br)cc1Cl
- CAS DataBase Reference
- 60811 · 60811-21-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 02-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/9114
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (97.7%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29039990
- risk_code
- 22-38-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37-60-61
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
Chemistry & industry
Applications
Uses4-Bromo-2-chloro-1-fluorobenzene may be used for the preparation of 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
UsesIntermediates of Liquid Crystals
Suppliers100 total
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]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
55 records
Compound notes
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