Basic information
- CAS
4597-21-1- Standard SMILES
Cc1nc2cc(C=O)ccc2n1C- InChIKey
MIMWZYHIBUZARG-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 1,2-Dimethyl-1H-benzo[d]imidazole-5-carbaldehyde
- IUPAC
- 1,2-dimethylbenzimidazole-5-carbaldehyde
- English name
- 1H-Benzimidazole-5-carboxaldehyde,1,2-dimethyl-(9CI)
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
4597-21-11,2-Dimethyl-1H-benzo[d]imidazole-5-carbaldehyde1H-Benzimidazole-5-carboxaldehyde,1,2-dimethyl-(9CI)1,2-dimethylbenzimidazole-5-carbaldehyde1,2-dimethyl-1H-1,3-benzodiazole-5-carbaldehydeMFCD006005651,2-Dimethyl-1H-benzimidazole-5-carboxaldehyde1,2-Dimethyl-1H-benzimidazole-5-carbaldehydeDTXSID00398939EAA59721AKOS001584709DS-15948
Show more names
1,2-Dimethyl-5-benzimidazolecarboxaldehydeCS-0161865C752371H-Benzimidazole-5-carboxaldehyde, 1,2-dimethyl-AH-034/32465054EN300-24801901F3214521,2-Dimethyl-1H-1,3-benzimidazole-5-carbaldehyde
Database identifiers
- CAS
4597-21-1- PubChem CID
- 4064883
- DTXSID
DTXSID00398939- EC Number
- 154-156-0
- Nikkaji
- J2.799.578K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 90 · 90-91℃
- Boiling point
- 366.6 · 366.6±15.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 5.56 · 5.56±0.25(Predicted)
- InChI
- InChI=1S/C10H10N2O/c1-7-11-9-5-8(6-13)3-4-10(9)12(7)2/h3-6H,1-2H3
- InChIKey
- MIMWZYHIBUZARG-UHFFFAOYSA-N
- SMILES
- C1(C)N(C)C2=CC=C(C=O)C=C2N=1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉德克瑞生物医药科技有限公司027-69573188 18221423799 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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