Basic information
- CAS
31295-66-6- Standard SMILES
Cc1onc(-c2ccccc2)c1I- InChIKey
DDVPBKUHWSZYIP-UHFFFAOYSA-N- Molecular formula
- C10H8INO
- Average molar mass
- 285.08 g/mol
- Monoisotopic mass
- 284.96506188
Names & identifiers
- Preferred name
- 4-Iodo-5-methyl-3-phenylisoxazole
- IUPAC
- 4-iodo-5-methyl-3-phenyl-1,2-oxazole
- English name
- 4-IODO-5-METHYL-3-PHENYLISOXAZOLE
- Molecular formula
- C10H8INO
- Molecular weight
- 285.08
Names & synonyms
4-Iodo-5-methyl-3-phenylisoxazole31295-66-6DTXSID60379845RefChem:293548DTXCID203308714-iodo-5-methyl-3-phenyl-1,2-oxazoleMFCD026818885-methyl-4-iodo-3-phenylisoxazoleSCHEMBL3952331DDVPBKUHWSZYIP-UHFFFAOYSA-NAKOS026675572PS-7192
Show more names
Isoxazole, 4-iodo-5-methyl-3-phenyl-CS-0314123F494054
Database identifiers
- CAS
31295-66-6- PubChem CID
- 2776150
- DTXSID
DTXSID60379845- EC Number
- 108-988-6
- Nikkaji
- J2.249.781B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 104 · 104-105°C
- form
- Solid
- CAS DataBase Reference
- 31295 · 31295-66-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- hs_code
- 2934999090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280
Chemistry & industry
Suppliers10 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
4 records
Compound notes
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