Basic information
- CAS
14213-13-9- Standard SMILES
Nc1ccc(-n2cnnn2)cc1- InChIKey
JRRAUWWVBVECPY-UHFFFAOYSA-N- Molecular formula
- C7H7N5
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.07014524
Names & identifiers
- Preferred name
- 4-(1H-1,2,3,4-tetrazol-1-yl)aniline
- IUPAC
- 4-(tetrazol-1-yl)aniline
- English name
- 4-(1H-TETRAZOL-1-YL)ANILINE HYDROCHLORIDE
- Molecular formula
- C7H7N5
- Molecular weight
- 161.16
Names & synonyms
4-(1H-1,2,3,4-tetrazol-1-yl)anilineRefChem:510430870-508-24-(1h-tetrazol-1-yl)aniline14213-13-9Benzenamine, 4-(1H-tetrazol-1-yl)-4-(tetrazol-1-yl)anilineMFCD027461844-tetrazol-1-yl-phenylamine4-(1,2,3,4-tetraazolyl)phenylamine[4-(1H-tetrazol-1-yl)phenyl]amineF2121-0006
Show more names
4-(1H-Tetraazol-1-yl)aniline4-(1H-Tetrazole-1-yl)aniline[4-(tetrazol-1-yl)phenyl]amine4-(1H-Tetrazol-1-yl)benzenamine4-(1,2,3,4-tetrazol-1-yl)aniline4-(1H-tetrazol-1-yl)aniline(SALTDATA: FREE)
4-(1-tetrazolyl)anilineChemDiv3_011350p-(1H-tetraazol-1-yl)anilineSCHEMBL1163779DTXSID00341248HMS1505D20SMSSF-00452204-(1H-Tetraazol-1-yl)aniline #
Database identifiers
- CAS
14213-13-9- PubChem CID
- 571640
- DTXSID
DTXSID00341248- EC Number
- 870-508-2
- Nikkaji
- J127.264K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 373.8 · 373.8±44.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.95 · 2.95±0.10(Predicted)
- Appearance
- Off-white to pink Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司13636370518 · [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]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
15 records
Compound notes
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