Basic information
- CAS
459-49-4- Standard SMILES
FCc1ccc(Br)cc1- InChIKey
LFTYKVGDROWKQC-UHFFFAOYSA-N- Molecular formula
- C7H6BrF
- Average molar mass
- 189.02 g/mol
- Monoisotopic mass
- 187.96369
Names & identifiers
- Preferred name
- 1-Bromo-4-(fluoromethyl)benzene
- IUPAC
- 1-bromo-4-(fluoromethyl)benzene
- English name
- 1-BroMo-4-(fluoroMethyl)-benzene
- Molecular formula
- C7H6BrF
- Molecular weight
- 189.02
Names & synonyms
1-bromo-4-(fluoromethyl)benzene459-49-4benzene, 1-bromo-4-(fluoromethyl)-RefChem:430599828-280-7InChI=1/C7H6BrF/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H4-bromobenzyl fluoride1-BroMo-4-(fluoroMethyl)-benzeneMFCD204821671-Bromo-4-fluoromethyl-benzeneSCHEMBL2517808SCHEMBL27969174
Show more names
1-Bromo-4-(Fluoromethyl)Benzene(WX630205)
LFTYKVGDROWKQC-UHFFFAOYSA-NAAA45949AKOS024064534AS-54829SY126677CS-0047008W10394EN300-1590445
Database identifiers
- CAS
459-49-4- PubChem CID
- 643180
- EC Number
- 828-280-7
- Nikkaji
- J809.281H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Melting point
- 32.9 · 32.9-33.2 °C
- Boiling point
- 80 · 80-81.5 °C(Press: 10-11 Torr)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- form
- crystalline powder
- color
- White
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2903998090 · 2903998090
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers11 total
韶远科技(上海)有限公司4000665055 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
重庆福腾医药有限公司18696571988 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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