Basic information
- CAS
1782055-40-6- Standard SMILES
O=C(O)C1CCc2c(Br)cccc2C1- InChIKey
UXJXCOISDYBOTM-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 253.99424
Names & identifiers
- Preferred name
- 5-Bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- English name
- 5-broMo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- Molecular formula
- C11H11BrO2
- Molecular weight
- 255.10784
Names & synonyms
5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid1782055-40-6RefChem:532655992-314-8AT505322-Naphthalenecarboxylic acid, 5-bromo-1,2,3,4-tetrahydro-
Database identifiers
- CAS
1782055-40-6- PubChem CID
- 72698331
- EC Number
- 992-314-8
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 229
Physicochemical properties
- Boiling point
- 398.7 · 398.7±42.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.20(Predicted)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)
Chemistry & industry
Suppliers4 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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