Basic information
- Standard SMILES
Oc1ccc2cc(Br)ccc2c1- InChIKey
YLDFTMJPQJXGSS-UHFFFAOYSA-N- Molecular formula
- C10H7BrO
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.96802694
Overview
6-bromo-2-naphthol is a member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6. It is a member of naphthols and an organobromine compound. It is functionally related to a 2-naphthol.
Names & identifiers
- Preferred name
- 6-Bromo-2-naphthalenol
- IUPAC
- 6-bromonaphthalen-2-ol
- English name
- 6-Bromo-2-naphthol
- Molecular formula
- C10H7BrO
- Molecular weight
- 223.07
Names & synonyms
6-Bromo-2-naphthol15231-91-16-Bromo-2-naphthalenolBromo-6 naphtol-22-NAPHTHOL, 6-BROMO-6-Bromo-beta-naphthol87F10AHZ3ODTXSID5074551NSC-17563CHEBI:34466RefChem:540791DTXCID5034935
Show more names
6-BROMO-2-NAPTHOLbromo-6naphtol-26-Bromo-2-phthol6-bromo-2-naphtho6-BROMONAPHTHOL-26-Brom-2-naphthol8-bromo-2-naphthol
239-279-06-bromonaphthalen-2-ol2-Naphthalenol, 6-bromo-6-Bromo2-hydroxynaphthalene6-Bromo-naphthalen-2-olMFCD00004081Bromo-6 naphtol-2 [French]6-Bromo-.beta.-naphthol
Database identifiers
- CAS
15231-91-1- PubChem CID
- 27144
- DTXSID
DTXSID5074551- ChEBI
CHEBI:34466- UNII
- 87F10AHZ3O
- EC Number
- 239-279-0
- Nikkaji
- J30.407G
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 122 · 122-124 °C (lit.)
- Boiling point
- 130 °C · 130°C (rough estimate)
- Density
- 1.4412 · 1.4412 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform, Methanol
- pka
- 9.26 · 9.26±0.40(Predicted)
- form
- Powder
- color
- Off-white to beige
- BRN
- 1100270 · 1100270
- InChI
- InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
- InChIKey
- YLDFTMJPQJXGSS-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(Br)C=C2)=CC=C1O
- CAS DataBase Reference
- 15231 · 15231-91-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 87 F10AHZ3O · 87F10AHZ3O
- NIST Chemistry Reference
- 2 · 2-Naphthalenol, 6-bromo-(15231-91-1)
- EPA Substance Registry System
- 6 · 6-Bromo-2-naphthol (15231-91-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 3365000 · QL3365000
- Hazard Note
- Irritant
- HS Code
- 29037990 · 29037990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.
Warning
H315 (98%): 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)
Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- QL3365000
- hs_code
- 29037990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6-Bromo-2-naphthol is a flavonoid molecule that shows steroid hormone activity and may be useful on anticancer therapy.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
江苏华伟斯特医药科技有限公司0519-88721112
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上海昊航化工有限公司021-31115312 18217084087 · [email protected]
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上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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上海马氏化学科技有限公司19916721580 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of naphthols that is 2-naphthol carrying an additional bromo substituent at position 6.
Related reactions
204 records
Linked notes
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