Basic information
- CAS
84944-75-2- Standard SMILES
N#Cc1ccc2c(c1)CCO2- InChIKey
QHTVULDSSWHXKV-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276384
Names & identifiers
- Preferred name
- 2,3-Dihydrobenzo[b]furan-5-carbonitrile
- IUPAC
- 2,3-dihydro-1-benzofuran-5-carbonitrile
- English name
- 5-Benzofurancarbonitrile,2,3-dihydro-(9CI)
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
2,3-dihydrobenzo[b]furan-5-carbonitrile2,3-Dihydrobenzo(b)furan-5-carbonitrileRefChem:442384691-831-384944-75-22,3-Dihydrobenzofuran-5-carbonitrile2,3-dihydro-1-benzofuran-5-carbonitrile5-Cyano-2,3-dihydrobenzo[b]furanMFCD008170525-Benzofurancarbonitrile,2,3-dihydro-(9CI)SCHEMBL3492241DTXSID80371144
Show more names
5-Benzofurancarbonitrile, 2,3-dihydro-
QHTVULDSSWHXKV-UHFFFAOYSA-NJDA94475SBB0864102,3-Dihydro-5-benzofurancarbonitrileAKOS009157549FS-5312DB-346429CS-0159680
Database identifiers
- CAS
84944-75-2- PubChem CID
- 2736124
- DTXSID
DTXSID80371144- EC Number
- 691-831-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- Off-white to grey
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2932990090 · 2932990090
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 (50%): 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 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 CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers10 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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