Basic information
- CAS
59338-86-2- Standard SMILES
COC(=O)c1cc2n[nH]nc2cc1OC- InChIKey
ZNWDIENXWNBKIM-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.06439116
Names & identifiers
- Preferred name
- Methyl 6-methoxy-1H-benzotriazole-5-carboxylate
- IUPAC
- methyl 6-methoxy-2H-benzotriazole-5-carboxylate
- English name
- methyl 6-methoxy-1H-benzotriazole-5-carboxylate
- Molecular formula
- C9H9N3O3
- Molecular weight
- 207.19
Names & synonyms
RefChem:157723DTXCID40130577261-705-959338-86-2DTXSID20208086EINECS 261-705-9Methyl 6-methoxy-1H-benzotriazole-5-carboxylateMethyl 6-methoxy-1H-benzo[d][1,2,3]triazole-5-carboxylateMLF6HT6BTCSCHEMBL10564396SCHEMBL27707178ZNWDIENXWNBKIM-UHFFFAOYSA-N
Show more names
Alizapride Impurity DMethyl 6-methoxy-1H-benzotriazole-5-carboxylic acid6-Methoxy-1H-benzotriazole-5-carboxylic acid methyl esterMethyl 5-methoxy-1H-benzo[d][1,2,3]triazole-6-carboxylate
NS00055960methyl 6-methoxy-2H-benzotriazole-5-carboxylateEN300-24827150Z15094725181H-Benzotriazole-5-carboxylic acid, 6-methoxy-, methyl ester
Database identifiers
- CAS
59338-86-2- PubChem CID
- 101015
- DTXSID
DTXSID20208086- UNII
- MLF6HT6BTC
- EC Number
- 261-705-9
- Nikkaji
- J308.664J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- REACH Registrations
- Active
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Methyl 6-methoxy-1H-benzotriazole-5-carboxylate (EC: 261-705-9)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers9 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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