2-(4-Bromonaphthalen-1-yl)acetic acid
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Basic information
- CAS
5438-74-4- Standard SMILES
O=C(O)Cc1ccc(Br)c2ccccc12- InChIKey
VIMWRMDQHHYVOY-UHFFFAOYSA-N- Molecular formula
- C12H9BrO2
- Average molar mass
- 265.1 g/mol
- Monoisotopic mass
- 263.97859163
Names & identifiers
- Preferred name
- 2-(4-Bromonaphthalen-1-yl)acetic acid
- IUPAC
- 2-(4-bromonaphthalen-1-yl)acetic acid
- English name
- 4-Bromo-1-naphthaleneacetic acid
- Molecular formula
- C12H9BrO2
- Molecular weight
- 265.1
Names & synonyms
2-(4-bromonaphthalen-1-yl)acetic acid4-Bromo-1-naphthaleneacetic acidRefChem:456991970-539-25438-74-41-NAPHTHALENEACETIC ACID, 4-BROMO-4-Bromonaphthyl acetic acidQ22LA4NE93NSC-14377NSC 14377BRN 1962591(4-bromonaphthalen-1-yl)acetic acid
Show more names
UNII-Q22LA4NE934-09-00-02430 (Beilstein Handbook Reference)SCHEMBL6949814-Bromonaphth-1-ylacetic acidDTXSID50202754VIMWRMDQHHYVOY-UHFFFAOYSA-NFAA43874NSC14377
Database identifiers
- CAS
5438-74-4- PubChem CID
- 21577
- DTXSID
DTXSID50202754- UNII
- Q22LA4NE93
- EC Number
- 970-539-2
- Nikkaji
- J42.382C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- FDA UNII
- 22 LA4NE93 · Q22LA4NE93
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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