Basic information
- CAS
23996-55-6- Standard SMILES
Cc1nccn1CCC#N- InChIKey
SESYNEDUKZDRJL-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.0796473
Overview
3-(2-Methyl-1H-imidazol-1-yl)propanenitrile is a member of imidazoles.
Names & identifiers
- Preferred name
- 1H-Imidazole-1-propanenitrile, 2-methyl-
- IUPAC
- 3-(2-methylimidazol-1-yl)propanenitrile
- English name
- 3-(2-Methyl-1H-imidazol-1-yl)propanenitrile
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
23996-55-61-Cyanoethyl-2-methylimidazole1H-Imidazole-1-propanenitrile, 2-methyl-EINECS 245-976-0DTXSID5066950RefChem:79784DTXCID90369873-(2-methyl-1H-imidazol-1-yl)propanenitrile3-(2-methylimidazol-1-yl)propanenitrile1-(2-Cyanoethyl)-2-methylimidazoleMFCD000470492-Methyl-1H-imidazole-1-propiononitrile
Show more names
2MICN3-(2-Methyl-1H-imida2-methyl-1h-imidazole-1-propanenitril1-(2-Cyanoethyl)-2-methyl-1H-imidazole3-(2-METHYL-1-IMIDAZOLYL)PROPIONITRILE2-methyl-1H-Imidazole-1-propanenitrile1-(2-Cyanoethyl)-2-methylimidazole >2-methyl-1H-imidazole-1-propiononitrile
SCHEMBL1536722L5TW6M6R6orb3029824CHEBI:194870Fr167143-(2-methylimidazolyl)propanenitrileSBB002422AKOS000189317
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 337.3 · 337.3±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- pka
- 7.31 · 7.31±0.31(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 23996 · 23996-55-6(CAS DataBase Reference)
- FDA UNII
- 2 L5TW6M6R6 · 2L5TW6M6R6
- EPA Substance Registry System
- 1 H-Imidazole-1-propanenitrile, · 1H-Imidazole-1-propanenitrile, 2-methyl- (23996-55-6)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319
- Precautionary statements
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 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1H-Imidazole-1-propanenitrile, 2-methyl-
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3439
- hs_code
- 2933.29.9000
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole-1-propanenitrile, 2-methyl-: ACTIVE
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东骄阳化工有限公司198 1918 9303/18265196555 18265196555 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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