Basic information
- CAS
14378-56-4- Standard SMILES
O=C(O)C1CCCCc2ccccc21- InChIKey
IWWVDVJJFIJZQE-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 6,7,8,9-tetrahydro-5H-benzo(7)annulene-5-carboxylic acid
- IUPAC
- 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid
- English name
- 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid14378-56-46,7,8,9-tetrahydro-5H-benzo(7)annulene-5-carboxylic acidRefChem:538587839-369-5SCHEMBL1844342IWWVDVJJFIJZQE-UHFFFAOYSA-NPAA37856AKOS010488836EN300-220724Z7923772526,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylicacid
Show more names
5H-Benzocycloheptene-5-carboxylic acid, 6,7,8,9-tetrahydro-
6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid
Database identifiers
- CAS
14378-56-4- PubChem CID
- 14822604
- EC Number
- 839-369-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 356.2 · 356.2±21.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
BETAPHARMA[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
6 records
Compound notes
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