Basic information
- CAS
2439-83-0- Standard SMILES
O=C1CCCCCN1Br- InChIKey
GJNCXCPHNRATIQ-UHFFFAOYSA-N- Molecular formula
- C6H10BrNO
- Average molar mass
- 192.05 g/mol
- Monoisotopic mass
- 190.99458
Names & identifiers
- Preferred name
- 1-Bromohexahydro-2H-azepin-2-one
- IUPAC
- 1-bromoazepan-2-one
- English name
- N-Bromocaprolactam
- Molecular formula
- C6H10BrNO
- Molecular weight
- 192.05
Names & synonyms
N-Bromocaprolactam1-Bromohexahydro-2H-azepin-2-oneEINECS 219-466-3RefChem:430759219-466-31-bromoazepan-2-one2439-83-0MFCD000032611-bromoazaperhydroepin-2-oneN-bromo-caprolactamSCHEMBL926389DTXSID90947258
Show more names
N-Bromocaprolactam,98%LABOTEST-BB LT00453945N-Bromo-^e-caprolactam, 98%N-bromo-epsilon-caprolactam2H-Azepin-2-one,1-bromohexahydro-(2-methyl-1-aziridinyl)-(2-methylphenyl)methanone
SBB0578552H-Azepin-2-one, 1-bromohexahydro-AKOS005208085SY378897DB-046436NS00047650ST51007161H57697
Database identifiers
- CAS
2439-83-0- PubChem CID
- 75541
- DTXSID
DTXSID90947258- EC Number
- 219-466-3
- Nikkaji
- J216.080C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 64 · 64-65°C
- Boiling point
- 220.9 · 220.9±23.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.20(Predicted)
- Sensitive
- Moisture Sensitive
- BRN
- 1524605 · 1524605
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers10 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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