Basic information
- CAS
88805-76-9- Standard SMILES
Nc1n[nH]c2ccc(I)cc12- InChIKey
GBUVSJWTWOWRSL-UHFFFAOYSA-N- Molecular formula
- C7H6IN3
- Average molar mass
- 259.05 g/mol
- Monoisotopic mass
- 258.96064519
Names & identifiers
- Preferred name
- 3-Amino-5-iodo-1H-indazole
- IUPAC
- 5-iodo-1H-indazol-3-amine
- English name
- 3-Amino-5-iodo-1H-indazole
- Molecular formula
- C7H6IN3
- Molecular weight
- 259.05
Names & synonyms
3-Amino-5-iodo-1H-indazoleRefChem:497402641-337-95-Iodo-1H-indazol-3-amine88805-76-9MFCD092611381H-Indazol-3-amine,5-iodo-1H-Indazol-3-amine, 5-iodo-3-Amino-5-iodoindazole5-iodo-1H-indazole-3-ylamineSCHEMBL10112094DTXSID90602855
Show more names
5-Iodo-1H-indazol-3-ylamine
GBUVSJWTWOWRSL-UHFFFAOYSA-NSBB052097AKOS016008912AS-8348AT28943DA-19355SY034110CS-0343292
Database identifiers
- CAS
88805-76-9- PubChem CID
- 20135868
- DTXSID
DTXSID90602855- EC Number
- 641-337-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 177 · 177-179℃
- Boiling point
- 452.2 · 452.2±25.0 °C(Predicted)
- Density
- 2.168 · 2.168±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.76 · 13.76±0.40(Predicted)
- form
- Crystalline Powder
- color
- White to brown
- Sensitive
- Light Sensitive
- 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
- HS Code
- 29339980 · 29339980
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29339980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers48 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
西安凯翔医药科技有限公司029-86538357
常州四渡化工有限公司0519-81291281 18015082300
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
常州市马龙化工有限公司18651958646
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
3 records
Compound notes
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