Basic information
- CAS
73732-51-1- Standard SMILES
Nc1cccc(-c2nn[nH]n2)c1- InChIKey
FLGISLVJQPPAMV-UHFFFAOYSA-N- Molecular formula
- C7H7N5
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.07014524
Names & identifiers
- Preferred name
- Aniline, 3-(1H-tetrazol-5-yl)-
- IUPAC
- 3-(2H-tetrazol-5-yl)aniline
- English name
- 5-(3-AMINOPHENYL)TETRAZOLE
- Molecular formula
- C7H7N5
- Molecular weight
- 161.16
Names & synonyms
5-(3-Aminophenyl)tetrazole73732-51-13-(1H-Tetrazol-5-yl)aniline5-(m-Aminophenyl)tetrazoleAniline, 3-(1H-tetrazol-5-yl)-Tetrazole, 5-(m-aminophenyl)-1H-Tetrazole, 5-(3-aminophenyl)-Benzenamine, 3-(1H-tetrazol-5-yl)-DTXSID50224057NSC 338110RefChem:319588DTXCID50146548
Show more names
Isaminophenyl tetrazolium3-(1h-tetrazol-5-yl)-anilin5-(3-aminophenyl)-1h-tetrazol5-(3-Aminophenyl)-1H-tetrazole5-(3-Aminophenyl)-2H-tetrazole3-(1h-tetrazol-5-yl)-benzenamin
675-390-43-(2H-tetrazol-5-yl)anilineMFCD012195613-(1H-1,2,3,4-tetrazol-5-yl)aniline3-(1H-1,2,3,4-tetraazol-5-yl)phenylamine3-aminophenyltetrazole3-(tetrazol-5-yl)aniline5-(3-amino-phenyl)tetrazole
Database identifiers
- CAS
73732-51-1- PubChem CID
- 100643
- DTXSID
DTXSID50224057- EC Number
- 675-390-4
- Nikkaji
- J2.672.895I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 202 · 202-205°C
- Boiling point
- 440.5 · 440.5±47.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 4.84 · 4.84±0.10(Predicted)
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
- InChIKey
- FLGISLVJQPPAMV-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(C2=NNN=N2)=C1
- CAS DataBase Reference
- 73732 · 73732-51-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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 (97.8%): 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 (97.8%)
Safety data
- rtecs
- BY9276000
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers57 total
韶远科技(上海)有限公司4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州达康新材料有限公司18753078059 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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