Basic information
- CAS
331714-58-0- Standard SMILES
N#Cc1cc(C#N)cc(C=O)c1- InChIKey
TXKYUJKLEQNBAO-UHFFFAOYSA-N- Molecular formula
- C9H4N2O
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.03236276
Names & identifiers
- Preferred name
- 5-Formyl-1,3-benzenedicarbonitrile
- IUPAC
- 5-formylbenzene-1,3-dicarbonitrile
- English name
- 1,3-Benzenedicarbonitrile, 5-formyl- (9CI)
- Molecular formula
- C9H4N2O
- Molecular weight
- 156.14
Names & synonyms
331714-58-05-Formyl-1,3-benzenedicarbonitrileRefChem:536018822-688-95-formylisophthalonitrile5-formylbenzene-1,3-dicarbonitrile1,3-Benzenedicarbonitrile, 5-formyl- (9CI)1,3-benzenedicarbonitrile, 5-formyl-SCHEMBL2161087SCHEMBL3191048GNA71458MFCD18805372
Show more names
3,5-dicyanobenzaldehyde
AB76127BS-50999DB-278845E76653EN300-1716687F847856Z1511761314InChI=1/C9H4N2O/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,6
Database identifiers
- CAS
331714-58-0- PubChem CID
- 643202
- EC Number
- 822-688-9
- Nikkaji
- J1.481.111G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 214.5 · 214.5±20.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
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 (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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H302-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers14 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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