CAS 76116-20-6 (R)-1-(2-bromophenyl)ethanol (HCID 2734868)

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Basic information

CAS: 76116-20-6
Standard SMILES: C[C@@H](O)c1ccccc1Br
InChIKey: DZLZSFZSPIUINR-ZCFIWIBFSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: (R)-1-(2-bromophenyl)ethanol
IUPAC: (1R)-1-(2-bromophenyl)ethanol
English name: (R)-1-(2-Bromophenyl)ethanol
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

(R)-1-(2-bromophenyl)ethanol76116-20-6(r)-2-bromo-alpha-methylbenzyl alcohol(1R)-1-(2-bromophenyl)ethanol(1R)-1-(2-bromophenyl)ethan-1-olMFCD00216591(R)-1-(2-bromophenyl)ethan-1-ol(R)-(+)-1-(2-Bromophenyl)ethanolAS-41234(R)-(+)-2-Bromo-alpha-methylbenzyl alcohol(R)-(+)-2-Bromo-|A-methylbenzyl alcohol(r)-2-bromo-alpha-methylbe

Show more names

(R)-(+)-2-Bromo-(R)-2-BROMO-ALPHA(R)-1-(2-BroMohenyl)ethanol(R)-(-)-2-BROMO-1-PHENYLETHANOL(R)-2-Bromo-α-methylbenzyl alcohol(r)-(+)-2-bromo-α-methylbenzyl alcohol

A838614SCHEMBL482545SCHEMBL30494040DTXSID10370544BDA11620(r)-2-bromo-alpha-methylbenzylalcoholAKOS016842425CS-W015573

Database identifiers

CAS: 76116-20-6
PubChem CID: 2734868
DTXSID: DTXSID10370544
EC Number: 625-949-3
Nikkaji: J1.133.466K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 54 · 54-56 °C (lit.)
Boiling point: 243.5 · 243.5±0.0 °C(Predicted)
Density: 1.47 · 1.470±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 14.01 · 14.01±0.20(Predicted)
Appearance: White to light yellow Solid
optical activity: 22 · [α]22/D +54°, c = 1 in chloroform
InChI: InChI=1/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/s3
InChIKey: DZLZSFZSPIUINR-ZCFIWIBFSA-N
SMILES: C1([C@H](O)C)C=CC=CC=1Br |&1:1,r|
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
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

UsesIt is the most important dyestuff intermediate.

Suppliers98 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

Related reactions

3 records

New reaction record

HRID 605337As reactantuspto-grants-2011_03

HRID 632672As reactantuspto-grants-2016_04

HRID 1181585As reactantuspto-grants-2007_10

Compound notes

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