Basic information
- CAS
691363-31-2- Standard SMILES
CCn1nnc2cc(C(=O)O)ccc21- InChIKey
YFLSBGGTASGZIL-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
- IUPAC
- 1-ethylbenzotriazole-5-carboxylic acid
- English name
- 1-Ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
691363-31-21-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acidDTXSID80366535RefChem:230202DTXCID50317574830-219-41-Ethyl-1H-benzo[d][1,2,3]triazole-5-carboxylic acid1-ethylbenzotriazole-5-carboxylic AcidMFCD05270868CHEMBL4402171-ethyl-1H-benzotriazole-5-carboxylic acidMLS000773826
Show more names
1H-Benzotriazole-5-carboxylic acid, 1-ethyl-
SCHEMBL6044058YFLSBGGTASGZIL-UHFFFAOYSA-NHMS1732G22HMS2756J17RCB36331BDBM50475633EBC-08101AKOS000211023
Database identifiers
- CAS
691363-31-2- PubChem CID
- 2103992
- DTXSID
DTXSID80366535- ChEMBL
CHEMBL440217- EC Number
- 830-219-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility9.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 233 °C · 233.00°C - 235.00°C
- Boiling point
- 428.4 · 428.4±18.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.51 · 3.51±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933998090 · 2933998090
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, 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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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