Basic information
- CAS
13101-40-1- Standard SMILES
Clc1cc(Br)cc(I)c1- InChIKey
RSGRRCWDCXLEHS-UHFFFAOYSA-N- Molecular formula
- C6H3BrClI
- Average molar mass
- 317.35 g/mol
- Monoisotopic mass
- 315.81514
Names & identifiers
- Preferred name
- 1-Bromo-3-chloro-5-iodobenzene
- IUPAC
- 1-bromo-3-chloro-5-iodobenzene
- English name
- 1-Bromo-3-chloro-5-iodobenzene
- Molecular formula
- C6H3BrClI
- Molecular weight
- 317.35
Names & synonyms
1-Bromo-3-chloro-5-iodobenzene13101-40-1DTXSID50339155RefChem:228495DTXCID50290237829-634-3BENZENE, 1-BROMO-3-CHLORO-5-IODO-MFCD077789983-CHLORO-5-IODO-1-BROMOBENZENE1-Brom-3-chlor-5-jodbenzolCL8624AKOS015850296
Show more names
3-Bromo-5-chloroiodobenzene1-BROMO-3-CHLORO-5-IODOBENZENE 13101-40-11-BROMO-3-CHLORO-5-IODOBENZENE ISO 9001：2015 REACH
CS-W018909AB42475GS-4475AC-28537SY111805B4981Z1269163949A2742
Database identifiers
- CAS
13101-40-1- PubChem CID
- 554123
- DTXSID
DTXSID50339155- EC Number
- 829-634-3
- Nikkaji
- J3.152.848H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 85.8 ℃ · 85.8℃
- Boiling point
- 280.4 · 280.4±25.0℃ (760 Torr)
- Density
- 2.272 · 2.272±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 123.4 · 123.4±23.2℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Brown
- InChI
- InChI=1S/C6H3BrClI/c7-4-1-5(8)3-6(9)2-4/h1-3H
- InChIKey
- RSGRRCWDCXLEHS-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(I)=CC(Cl)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…