Basic information
- CAS
33948-36-6- Standard SMILES
O=C1CCCC=C1I- InChIKey
IPFSJCDRYRZTJU-UHFFFAOYSA-N- Molecular formula
- C6H7IO
- Average molar mass
- 222.02 g/mol
- Monoisotopic mass
- 221.95416
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Iodo-2-cyclohexen-1-one
- IUPAC
- 2-iodocyclohex-2-en-1-one
- English name
- 2-Iodo-2-cyclohexen-1-one
- Molecular formula
- C6H7IO
- Molecular weight
- 222.02
Names & synonyms
33948-36-62-iodo-2-cyclohexen-1-oneDTXSID401312022RefChem:87648DTXCID6017418312-iodocyclohex-2-en-1-one2-IODOCYCLOHEX-2-ENONEMFCD090568202-Cyclohexen-1-one, 2-iodo-2-Cyclohexen-1-one,2-iodo-2-iodo-2-cyclohexenone2-Iodo-cyclohex-2-enone
Show more names
2-Benzylsulfanyl-4,5-dihydrothiazole2-Iodo-2-cyclohexen-1-one - [AC78359]
C6H7IO2-iodo-cyclohex-2-en-1-oneSCHEMBL6826368IBA94836AKOS026742839AS-58559DB-330387CS-0309325
Database identifiers
- CAS
33948-36-6- PubChem CID
- 11106935
- DTXSID
DTXSID401312022- EC Number
- 817-611-0
- Nikkaji
- J860.596C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 254.7 · 254.7±30.0 °C(Predicted)
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315-H332-H302-H312
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315-H332-H302-H312
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers25 total
成都市久鼎化学技术有限公司18584079237 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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