Basic information
- CAS
931-77-1- Standard SMILES
CC1(Br)CCCCC1- InChIKey
VSGXTQWTJYAQHO-UHFFFAOYSA-N- Molecular formula
- C7H13Br
- Average molar mass
- 177.08 g/mol
- Monoisotopic mass
- 176.02006252
Names & identifiers
- Preferred name
- 1-Bromo-1-methylcyclohexane
- IUPAC
- 1-bromo-1-methylcyclohexane
- English name
- Cyclohexane, 1-bromo-1-methyl-
- Molecular formula
- C7H13Br
- Molecular weight
- 177.08
Names & synonyms
1-bromo-1-methylcyclohexane931-77-1DTXSID80500578RefChem:430148DTXCID70451388988-056-01-bromo-1-methyl-cyclohexaneCyclohexane, 1-bromo-1-methyl-MFCD21338541bromo-methyl-cyclohexaneSCHEMBL1443604SCHEMBL6342034
Show more names
SCHEMBL7574748VSGXTQWTJYAQHO-UHFFFAOYSA-NAAA93177AKOS015906265PB43868BS-42785SY238280P19508
Database identifiers
- CAS
931-77-1- PubChem CID
- 12502129
- DTXSID
DTXSID80500578- EC Number
- 988-056-0
- Nikkaji
- J843.046B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 181.96 °C · 181.96°C (estimate)
- Density
- 1.251 · 1.2510
- refractive index
- 1.4866 · 1.4866
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Nanjing Yushan Wanfang Biotechnology Co., Ltd.
Related reactions
7 records
Compound notes
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