Basic information
- CAS
67014-36-2- Standard SMILES
Cc1cc2[nH]c(=O)[nH]c2cc1N- InChIKey
ZCXIPVIGYBHUTQ-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one
- IUPAC
- 5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one
- English name
- 5-Amino-6-methyl-1,3-dihydro-2H-benzimidazol-2-one
- Molecular formula
- C8H9N3O
- Molecular weight
- 163.18
Names & synonyms
67014-36-25-Amino-6-methyl-1,3-dihydrobenzoimidazol-2-one47864WO7J3NSC-5256095-AMINO-1,3-DIHYDRO-6-METHYL-2H-BENZIMIDAZOL-2-ONERefChem:101976428-410-95-Amino-6-methyl-2-benzimidazolone5-Amino-6-methyl-1H-benzo[d]imidazol-2(3H)-one5-Amino-6-methyl benzimidazolone5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one5-Amino-6-methyl-1,3-dihydro-benzoimidazol-2-one
Show more names
5-Amino-6-methylTIMTEC-BB SBB0101505-METHYL-6-AMINO BENZIMIDAZOLONE6-Methyl-5-amino Benzimidazolone5-AMINO-6-METHYLBENZIMIDAZOL-2-ONE5-Amino-6-methylbenzimidazolone 95+%5-Amino-6-methylbenzimidazolone(AMBI)AMBI (5-AMINO-6-METHYL BENZIMIDAZOLONE
MFCD026844285-amino-6-methyl-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-6-methyl-5-Amino-6-methyl-1H-benzimidazol-2(3H)-one6-amino-5-methyl-3-hydrobenzimidazol-2-oneNSC5256095-amino-6-methyl-1,3SCHEMBL1827312
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 256 °C · >256°C (dec.)
- Boiling point
- 215 · 215.0±29.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- vapor pressure
- 0.023 Pa · 0.023Pa at 20℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 11.81 · 11.81±0.30(Predicted)
- form
- Solid
- color
- Pale Beige to Light Brown
- Water Solubility
- 1.72 g/L · 1.72g/L at 19.5℃
- LogP
- 0.2 at · 0.2 at 20℃
- CAS DataBase Reference
- 67014 · 67014-36-2(CAS DataBase Reference)
- FDA UNII
- 47864 WO7J3 · 47864WO7J3
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
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: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 5-amino-6-methyl-1,3-dihydrobenzoimidazol-2-one (EC: 428-410-9)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_class
- IRRITANT
- Hazard statements
- H302-H317-H411
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
Uses5-Amino-6-methylbenzimidazolone is used in preparing colorant for color filters.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
济南新时代化工有限公司0531-84319199 18660131512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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