2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-
Basic information
- CAS
1779-10-8- Standard SMILES
O=C(O)c1cc2cc(Br)ccc2c(Br)c1O- InChIKey
WNMKUIQCIRAXBN-UHFFFAOYSA-N- Molecular formula
- C11H6Br2O3
- Average molar mass
- 345.97 g/mol
- Monoisotopic mass
- 343.86836825
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-
- IUPAC
- 4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acid
- English name
- 1,6-Dibromo-2-hydroxynaphthalene-3-carboxylic acid
- Molecular formula
- C11H6Br2O3
- Molecular weight
- 345.97
Names & synonyms
1779-10-84,7-Dibromo-3-hydroxy-2-naphthoic acidNSC 85082-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-EINECS 217-214-7NSC 506422-Naphthoic acid, 4,7-dibromo-3-hydroxy-DTXSID00619594,7-Dibromo-3-hydroxy-2-naphthalenecarboxylic AcidRefChem:476628DTXCID6035655217-214-7
Show more names
LABOTEST-BB LT004554026-Naphthaleneethanamine4,7-Dibrom-3-hydroxy-2-naphthoesureIsoxazole,3-(bromomethyl)-10-methyl-4,7-Dibromo-3-hydroxy-2-naphthoicAcid>1,6-DIBROMO-2-HYDROXYNAPHTHALENE-3-CARB&4,7-Dibromo-3-hydroxy-2-naphthoic acid 97%4,7-dibromo-3-hydroxy-2-naphthalenecarboxylicaci
1,6-Dibromo-2-hydroxynaphthalene-3-carboxylic acid4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acidC11H6Br2O3MFCD000463671,6-Dibromo-2-naphthol-3-carboxylic AcidNSC-8508NSC-506422-Naphthoic acid,7-dibromo-3-hydroxy-
Database identifiers
- CAS
1779-10-8- PubChem CID
- 74502
- DTXSID
DTXSID0061959- UNII
- 3ZEP6U9FC5
- EC Number
- 217-214-7
- Nikkaji
- J27.855F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 251 · 251-255 °C (lit.)
- Boiling point
- 427.6 · 427.6±45.0 °C(Predicted)
- Density
- 2.073 · 2.073±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 2.38 · 2.38±0.30(Predicted)
- color
- Light yellow to Yellow to Green
- BRN
- 2378969 · 2378969
- InChI
- 1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)
- InChIKey
- WNMKUIQCIRAXBN-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc2cc(Br)ccc2c(Br)c1O
- CAS DataBase Reference
- 1779 · 1779-10-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy- (1779-10-8)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
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 (88.9%): 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 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 (88.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29181990
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 4,7-dibromo-3-hydroxy-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
3 records
Compound notes
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