Basic information
- CAS
27799-83-3- Standard SMILES
Cn1nnc2cc(N)ccc21- InChIKey
QSESSKWYDOHYAW-UHFFFAOYSA-N- Molecular formula
- C7H8N4
- Average molar mass
- 148.17 g/mol
- Monoisotopic mass
- 148.07489626
Names & identifiers
- Preferred name
- 1-methyl-1H-1,2,3-benzotriazol-5-amine
- IUPAC
- 1-methylbenzotriazol-5-amine
- English name
- 5-Amino-1-methyl-1H-benzotriazole
- Molecular formula
- C7H8N4
- Molecular weight
- 148.17
Names & synonyms
1-Methyl-1H-1,2,3-benzotriazol-5-amineRefChem:433769823-705-227799-83-31H-Benzotriazol-5-amine, 1-methyl-1-Methyl-1H-benzo[d][1,2,3]triazol-5-amine1-methylbenzotriazol-5-amineMFCD186517671H-Benzotriazole, 5-amino-1-methyl-1-Methyl-1H-benzotriazol-5-amine1H-Benzotriazol-5-amine,1-methyl-5-amino-1-methylbenzotriazole
Show more names
5-Amino-1-methyl-1H-benzotriazole
SCHEMBL210242DTXSID00280325ALBB-031024CBA79983NSC 16401AKOS006316425BF-0707DS-008636
Database identifiers
- CAS
27799-83-3- PubChem CID
- 226197
- DTXSID
DTXSID00280325- EC Number
- 823-705-2
- Nikkaji
- J103.265H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 368.5 · 368.5±15.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.50(Predicted)
- form
- solid
- InChI
- 1S/C7H8N4/c1-11-7-3-2-5(8)4-6(7)9-10-11/h2-4H,8H2,1H3
- InChIKey
- QSESSKWYDOHYAW-UHFFFAOYSA-N
- SMILES
- Cn1nnc2cc(N)ccc12
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- WGK Germany
- 3 · 3
- HazardClass
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
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海韵浦实业有限公司21-61726900 15202122459
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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