4-Bromonaphthalen-1-ol
Basic information
- CAS
571-57-3- Standard SMILES
Oc1ccc(Br)c2ccccc12- InChIKey
OUNQUWORSXHSJN-UHFFFAOYSA-N- Molecular formula
- C10H7BrO
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.96803
Names & identifiers
- Preferred name
- 4-Bromonaphthalen-1-ol
- IUPAC
- 4-bromonaphthalen-1-ol
- English name
- 4-Bromo-L-naphthol
- Molecular formula
- C10H7BrO
- Molecular weight
- 223.07
Names & synonyms
4-bromonaphthalen-1-ol571-57-3DTXSID50341773RefChem:520516DTXCID10292853804-265-04-bromo-1-naphthalenol4-Bromo-1-naphthol4-BROMO-L-NAPHTHOL1-Naphthalenol, 4-bromo-4-bromonaphtholMFCD03129265
Show more names
4-BROMO-L-PHTHOL4-bromo-1-naphtol4-Bromo-alpha-naphthol4-bromo-1-naphthol，97%1-Naphthalenol,4-broMo-
1-Bromo-4-hydroxynaphthaleneBromonaphthalen-1-ol1-Naphthol, 4-bromo-4-bromo-naphthalen-1-ol4-Bromo-1-naphthol #4-Bromo-1-naphthol, 95%SCHEMBL225430SCHEMBL2325097
Database identifiers
- CAS
571-57-3- PubChem CID
- 575609
- DTXSID
DTXSID50341773- ChEMBL
CHEMBL1822878- EC Number
- 804-265-0
- Nikkaji
- J94.979E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.3
Physicochemical properties
- Melting point
- 128 · 128-133°C
- Boiling point
- 346.4 · 346.4±15.0 °C(Predicted)
- Density
- 1.614 · 1.614
- Flash point
- 125 ℃ · 125℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 8.95 · 8.95±0.40(Predicted)
- Appearance
- Off-white to gray Solid
- InChI
- InChI=1S/C10H7BrO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
- InChIKey
- OUNQUWORSXHSJN-UHFFFAOYSA-N
- SMILES
- C1(O)=C2C(C=CC=C2)=C(Br)C=C1
- UNSPSC Code
- 12352100 · 12352100
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+H312 (88.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 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
- wgk
- 3
- risk_code
- 21/22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
12 records
Compound notes
Loading…