2-Bromobenzaldehyde

HCID 81129
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Basic information

CAS
6630-33-7
Standard SMILES
O=Cc1ccccc1Br
InChIKey
NDOPHXWIAZIXPR-UHFFFAOYSA-N
Molecular formula
C7H5BrO
Average molar mass
185.02 g/mol
Monoisotopic mass
183.95237688

Overview

structure in first source

Names & identifiers

Preferred name
2-Bromobenzaldehyde
IUPAC
2-bromobenzaldehyde
English name
2-Bromobenzaldehyde
Molecular formula
C7H5BrO
Molecular weight
185.02

Names & synonyms

2-Bromobenzaldehyde6630-33-7o-BromobenzaldehydeBenzaldehyde, 2-bromo-Benzaldehyde, o-bromo-ETK6FJ5FU9NSC-60390DTXSID8064430RefChem:85846DTXCID0044787229-622-22-bromo-benzaldehyde
Show more names
ORTHO-BROMOBENZALDEHYDE2-(trimethylammonio)ethyl hydrogen phosphateo-BromobenzaLAKOS BBS-000031782-Brombenzaldehyd2-broMo benzacehyde2-bromo-benzaldehyd
MFCD000033002-Formylbromobenzene2-bromo benzaldehydebromobenzaldehydebromo benzaldehyde2-brombenzaldehydeNSC60390o-Bromobenzaldehyde; 1-Bromo-2-formylbenzene; 2-Bromobenzenecarboxaldehyde; NSC 60390; o-Bromobenzaldehyde

Database identifiers

CAS
6630-33-7
PubChem CID
81129
DTXSID
DTXSID8064430
ChEMBL
CHEMBL3236916
UNII
ETK6FJ5FU9
EC Number
229-622-2
Nikkaji
J30.725D

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless to pale yellow liquid; mp = 18-21 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
16 · 16-19 °C(lit.)
Boiling point
230 °C · 230 °C(lit.)
Density
1.585 g/mL · 1.585 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.595(lit.)
Flash point
203 °F · 203 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

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 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzaldehyde, 2-bromo-

2-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See o-Chlorobenzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 3
hs_code
29130000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 2-bromo-: ACTIVE

Applications

Uses2-Bromobenzaldehyde is used in L-threonine aldolase-catalyzed enantio and diastereoselective aldol reactions. Further, it reacts with trichloromethane to prepare 1-(2-bromo-phenyl)-2,2,2-trichloro-ethanol.

Uses2-Bromobenzaldehyde is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

296 records
New reaction record

Compound notes

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