Basic information
- CAS
5307-99-3- Standard SMILES
O=C1C2CC=CC2C1(Cl)Cl- InChIKey
JBPBARAOHIDZPU-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2O
- Average molar mass
- 177.02 g/mol
- Monoisotopic mass
- 175.9795702
Names & identifiers
- Preferred name
- 7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one
- IUPAC
- 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-one
- English name
- 7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one
- Molecular formula
- C7H6Cl2O
- Molecular weight
- 177.03
Names & synonyms
7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one5307-99-37,7-Dichlorobicyclo(3.2.0)hept-2-en-6-oneEINECS 226-165-0DTXSID10967579NSC 116987RefChem:105524DTXCID901395174226-165-07,7-Dichlorobicyclo[3.2.0]hept-2-ene-6-oneMFCD00013738Bicyclo[3.2.0]hept-2-en-6-one, 7,7-dichloro-
Show more names
DichlorobicycloheptenoneProstaglandin Impurity 47,7-Dichloro[3.2.0]hept-2-en-6-one7,7-DICHLOROBICYCLO[3.2.0]HEPT-2-ENONE6,6-dichlorobicyclo[3.2.0]hept-3-en-7-one7,7-Dichloro-6-oxobicyclo[3.2.0]hept-2-ene
7,7-Dichlorobicyclo(3,2,0)hept-2-en-6-oneNSC116987SCHEMBL4739025AKOS016009996NSC-116987AS-47177SY260243DB-052256
Database identifiers
- CAS
5307-99-3- PubChem CID
- 98378
- DTXSID
DTXSID10967579- EC Number
- 226-165-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 58 · 58-64 °C (0.5 mmHg)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- refractive index
- 1.515 · 1.5150
- Flash point
- 127 · 127-128°C/25mm
- storage temp.
- Refrigerator (+4°C)
- form
- liquid
- color
- Clear, dark orange
- BRN
- 2045059 · 2045059
- InChI
- InChI=1S/C7H6Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-5H,2H2
- InChIKey
- JBPBARAOHIDZPU-UHFFFAOYSA-N
- SMILES
- C12C(C(=O)C1(Cl)Cl)CC=C2
- CAS DataBase Reference
- 5307 · 5307-99-3(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280a-P321-P332+P313-P337+P313
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 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (86.7%)
Safety data
- wgk
- 2
- ridadr
- UN 3265 8 / PGIII
- hs_code
- 2914290090
- risk_code
- 36/37/38-34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- Hazard statements
- H315-H319-H302-H314
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280a-P321-P332+P313-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers55 total
山东玖玥生物科技有限公司15553333686 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Related reactions
2 records
Compound notes
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