Basic information
- CAS
944898-90-2- Standard SMILES
N#Cc1ccc2n[nH]c(I)c2c1- InChIKey
WUXBWWWYWVYSTI-UHFFFAOYSA-N- Molecular formula
- C8H4IN3
- Average molar mass
- 269.04 g/mol
- Monoisotopic mass
- 268.94499
Names & identifiers
- Preferred name
- 3-Iodo-1H-indazole-5-carbonitrile
- IUPAC
- 3-iodo-2H-indazole-5-carbonitrile
- English name
- 3-iodo-1H-indazole-5-carbonitrile
- Molecular formula
- C8H4IN3
- Molecular weight
- 269.04
Names & synonyms
3-Iodo-1H-indazole-5-carbonitrile944898-90-23-iodo-2H-indazole-5-carbonitrileMFCD092632163-Iodo-5-cyano (1H)indazoleSCHEMBL14737930SCHEMBL31587042DTXSID00646705WUXBWWWYWVYSTI-UHFFFAOYSA-NUMB89890AKOS022172881AB50169
Show more names
1H-Indazole-5-carbonitrile, 3-iodo-
BS-33280DB-228668CS-0054310EN300-4252737
Database identifiers
- CAS
944898-90-2- PubChem CID
- 24729338
- DTXSID
DTXSID00646705- EC Number
- 177-594-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 446.4 · 446.4±25.0 °C(Predicted)
- Density
- 2.12 · 2.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.23 · 10.23±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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