Basic information
- CAS
3325-11-9- Standard SMILES
Nc1ccc2n[nH]nc2c1- InChIKey
XSFHICWNEBCMNN-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924621
Names & identifiers
- Preferred name
- 1H-Benzotriazol-6-amine
- IUPAC
- 2H-benzotriazol-5-amine
- English name
- 5-AMINOBENZOTRIAZOLE
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
5-Aminobenzotriazole2H-Benzo[d][1,2,3]triazol-5-amine1H-Benzotriazol-6-amine2H-benzo(d)(1,2,3)triazol-5-amineRefChem:438155681-793-63325-11-91H-1,2,3-Benzotriazol-5-amine2h-benzotriazol-5-amine1H-benzo[d][1,2,3]triazol-5-amine5-Amino-1H-benzotriazole503183-58-2
Show more names
3325/11/9TIMTEC-BB SBB0056492H-benzotriazol-5-ylamine
1H-Benzotriazol-5-amine6-aminobenzotriazoleMFCD000472091H-Benzotriazol-5-ylamineCHEMBL51890881H-1,2,3-benzotriazol-6-amine3H-benzo[d][1,2,3]triazol-5-aminebenzotriazole-5-ylamine
Database identifiers
- CAS
3325-11-9- PubChem CID
- 76844
- DTXSID
DTXSID5062978- ChEMBL
CHEMBL5189088- EC Number
- 681-793-6
- Nikkaji
- J80.693E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 152 · 152-154°C
- Boiling point
- 479.4 · 479.4±18.0 °C(Predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- crystalline powder
- pka
- 9.61 · 9.61±0.40(Predicted)
- color
- Light beige/light brown
- Water Solubility
- Insoluble in water.
- BRN
- 121262 · 121262
- InChI
- 1S/C6H6N4/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2,(H,8,9,10)
- InChIKey
- XSFHICWNEBCMNN-UHFFFAOYSA-N
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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 2933998090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-36/37-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzotriazol-6-amine: INACTIVE
Applications
Uses5-Amino-1H-benzotriazole is used as azole building block.
Upstream & downstream products
Upstream raw materials
Suppliers58 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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