Basic information
- CAS
54013-18-2- Standard SMILES
Nc1cc(Cl)ccc1-c1nn[nH]n1- InChIKey
KKTZHFZXGZLTLZ-UHFFFAOYSA-N- Molecular formula
- C7H6ClN5
- Average molar mass
- 195.61 g/mol
- Monoisotopic mass
- 195.0311729
Names & identifiers
- Preferred name
- 5-Chloro-2-(1H-tetrazol-5-yl)aniline
- IUPAC
- 5-chloro-2-(2H-tetrazol-5-yl)aniline
- English name
- 5-chloro-2-(1H-tetrazol-5-yl)aniline
- Molecular formula
- C7H6ClN5
- Molecular weight
- 195.61
Names & synonyms
54013-18-25-Chloro-2-(1H-tetrazol-5-yl)aniline5-chloro-2-(2H-tetrazol-5-yl)aniline5-chloro-2-(1H-1,2,3,4-tetrazol-5-yl)anilineMFCD03085917EINECS 258-923-15-(2-Amino-4-chlorophenyl)tetrazole5-(2-Amino-4-chlorophenyl)-1H-tetrazoleCHEMBL451378orb3022471SCHEMBL1308358DTXSID40202329
Show more names
5-Chloro-2-(1H-tetrazol-5-yl)aniline97%5-Chloro-2-(1H-tetrazol-5-yl)benzenamine5-Chloro-2-(1H-tetrazol-5-yl)aniline 97%BenzenaMine, 5-chloro-2-(2H-tetrazol-5-yl)-
TPL0605ECA01318AKOS013153469PS-3801SY0388215-(2-Amino-4-chlorophenyl)-2H-tetrazole5-chloro-2-(1H-tetraazol-5-yl)phenylamine5-chloro-2-(1H-tetrazol-5-yl)-phenylamine
Database identifiers
- CAS
54013-18-2- PubChem CID
- 104673
- DTXSID
DTXSID40202329- ChEMBL
CHEMBL451378- EC Number
- 258-923-1
- Nikkaji
- J279.561B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 160 °C · 160.00°C - 162.00°C
- Boiling point
- 436.5 · 436.5±55.0 °C(Predicted)
- Density
- 1.54 · 1.540
- pka
- 4.37 · 4.37±0.10(Predicted)
- form
- Powder
- InChI
- InChI=1S/C7H6ClN5/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
- InChIKey
- KKTZHFZXGZLTLZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Cl)=CC=C1C1=NNN=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P271-P280-P301+P310-P304+P340-P312
- 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P271-P280-P301+P310-P304+P340-P312
Chemistry & industry
Suppliers16 total
郑州汇聚化工有限公司13393710386 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
杭州药联生物科技有限公司15088318933 19357585311 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850368 18140587623 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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