3-Bromobenzyl alcohol
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Basic information
- CAS
15852-73-0- Standard SMILES
OCc1cccc(Br)c1- InChIKey
FSWNRRSWFBXQCL-UHFFFAOYSA-N- Molecular formula
- C7H7BrO
- Average molar mass
- 187.03 g/mol
- Monoisotopic mass
- 185.96803
Names & identifiers
- Preferred name
- 3-Bromobenzyl alcohol
- IUPAC
- (3-bromophenyl)methanol
- English name
- 3-Bromobenzyl alcohol
- Molecular formula
- C7H7BrO
- Molecular weight
- 187.03
Names & synonyms
3-Bromobenzyl alcohol15852-73-0Benzenemethanol, 3-bromo-3-BromobenzenemethanolEINECS 239-975-4DTXSID70166440RefChem:499310DTXCID8088931239-975-4InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H(3-Bromophenyl)methanolm-Bromobenzyl alcohol
Show more names
RARECHEM AL BD 00523-Bromobenzyl alcohol 98%3-Bromobenzyl alcohol,99%3-Bromobenzyl Alcohol >3-BroMobenzyl Alcohol, 97+%
MFCD00004629(3-bromophenyl)methan-1-ol3-Bromobenzylalcoholm-bromobenzylalcohol3-bromophenylmethanol3-bromophenyl-methanol3-bromo benzyl alcohol3- bromophenyl-methanol
Database identifiers
- CAS
15852-73-0- PubChem CID
- 85141
- DTXSID
DTXSID70166440- ChEMBL
CHEMBL2323842- EC Number
- 239-975-4
- Nikkaji
- J278J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 110 · 110-112
- Boiling point
- 165 °C16 · 165 °C16 mm Hg(lit.)
- Density
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.584(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Slightly soluble in water
- form
- clear liquid
- pka
- 14.28 · 14.28±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.56 · 1.560
- BRN
- 2242512 · 2242512
- InChI
- InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChIKey
- FSWNRRSWFBXQCL-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC(Br)=C1
- CAS DataBase Reference
- 15852 · 15852-73-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Bromobenzyl alcohol(15852-73-0)
- 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-P305+P351+P338
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29062900 · 29062900
- Storage Class
- 10 · 10 - Combustible liquids
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
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationBenzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (60%)；Eye Irrit. 2A (60%)；Acute Tox. 4 (20%)；STOT SE 3 (60%)
Regulatory information
Regulatory InformationBenzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
82 records
Compound notes
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