Basic information
- CAS
3047-38-9- Standard SMILES
N#CC1=CCCC1- InChIKey
XBVZRFXCDCYXAX-UHFFFAOYSA-N- Molecular formula
- C6H7N
- Average molar mass
- 93.13 g/mol
- Monoisotopic mass
- 93.05784922
Names & identifiers
- Preferred name
- 1-Cyclopentene-1-carbonitrile
- IUPAC
- cyclopentene-1-carbonitrile
- English name
- 1-Cyanocyclopentene
- Molecular formula
- C6H7N
- Molecular weight
- 93.13
Names & synonyms
3047-38-91-Cyclopentene-1-carbonitrile1-CyclopentenecarbonitrileDTXSID90184545RefChem:431759DTXCID30107036678-718-41-Cyanocyclopentenecyclopent-1-enecarbonitrilecyclopent-1-ene-1-carbonitrilecyclopentene-1-carbonitrileMFCD00043765
Show more names
1-CYCLOPENTENECARBONITRILE ---CLEAR LIQUID---
1-cyano-1-cyclopentene1-CyanocyclopentenSCHEMBL149920SCHEMBL3346891SCHEMBL8440471SCHEMBL9192956SBB007727AKOS006229630
Database identifiers
- CAS
3047-38-9- PubChem CID
- 137808
- DTXSID
DTXSID90184545- EC Number
- 678-718-4
- Nikkaji
- J1.608.315A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 72 °C/15mm · 72°C/15mm
- Density
- 0.944 · 0.944
- refractive index
- 1.4715 · 1.4715
- Flash point
- 72 °C/15mm · 72°C/15mm
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- RIDADR
- 3276 · UN3276
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 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 (100%)
Safety data
- ridadr
- UN3276
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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