Basic information
- Standard SMILES
O=C(O)c1n[nH]c2cc(I)ccc12- InChIKey
RRJVCGPPXNEYJQ-UHFFFAOYSA-N- Molecular formula
- C8H5IN2O2
- Average molar mass
- 288.04 g/mol
- Monoisotopic mass
- 287.93957
Names & identifiers
- Preferred name
- 6-Iodo-1H-indazole-3-carboxylic acid
- IUPAC
- 6-iodo-1H-indazole-3-carboxylic acid
- English name
- 6-IODO-3-(1H)INDAZOLE CARBOXYLIC ACID
- Molecular formula
- C8H5IN2O2
- Molecular weight
- 288.04
Names & synonyms
6-iodo-1H-indazole-3-carboxylic acid885520-67-2RefChem:104865814-279-9MFCD073789356-Iodo-3-(1H)indazole carboxylic acid6-Iodoindazole-3-carboxylic Acid6-iodo-1H-indazole-3-carboxylicacidSCHEMBL11971138RRJVCGPPXNEYJQ-UHFFFAOYSA-NDTXSID601289841AKOS005266616
Show more names
1H-Indazole-3-carboxylic acid, 6-iodo-
PB43712AS-48570SY099354DB-140731CS-0050190F51305
Database identifiers
- CAS
885520-67-2- PubChem CID
- 24728756
- DTXSID
DTXSID601289841- EC Number
- 814-279-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 512.1 · 512.1±30.0 °C(Predicted)
- Density
- 2.22 · 2.220±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 2.74 · 2.74±0.10(Predicted)
- form
- solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P261
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P261
Chemistry & industry
Suppliers11 total
Aladdin Scientific[email protected]
西安瑞成医药科技有限责任公司18291828687 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd.+86-029-86185165 +86-18629664246 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
1 records
Linked notes
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