3-Bromobenzaldehyde

HCID 76583CAS 3132-99-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cccc(Br)c1
InChIKey
SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular formula
C7H5BrO
Average molar mass
185.02 g/mol
Monoisotopic mass
183.95237688

Names & identifiers

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

Names & synonyms

3-Bromobenzaldehyde3132-99-8m-BromobenzaldehydeBenzaldehyde, 3-bromo-Benzaldehyde, m-bromo-DTXSID4027521W0ARD2ZJ82DTXCID707521RefChem:499296221-526-9MFCD000033453-Bromo-benzaldehyde
Show more names
META BROMO BENZALDEHYDEm-bromo-benzaldehydAKOS B0040423-BromobenzaLAKOS BBS-000031443-romobenzaldehyde3-Brombenzaldehyde3-BroMobenzeldehyde
NSC 668283-formylbromobenzene3-bromo benzaldehydeNSC-66828NSC66828SB40508CAS-3132-99-8EINECS 221-526-9

Database identifiers

CAS
3132-99-8
PubChem CID
76583
DTXSID
DTXSID4027521
ChEMBL
CHEMBL1568619
UNII
W0ARD2ZJ82
EC Number
221-526-9
Nikkaji
J30.726B

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 Properties13C nuclear magnetic resonance spectrum
Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
18 · 18-21 °C(lit.)
Boiling point
233 · 233-236 °C(lit.)
Density
1.587 g/mL · 1.587 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.593(lit.)
Flash point
96 °C · 96 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzaldehyde, 3-bromo-

Status: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33084

3-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; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

F
10
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
CU4820000
ridadr
2810

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 3-bromo-: ACTIVE

Applications

UsesA substituted benzaldehyde used in the synthesis of more complex pharmaceutical compounds. It is also employed as an active pharmaceutical ingredient.

Uses3-Bromobenzaldehyde, is a substituted benzaldehyde, shown to have antibacterial activity against Mycobacterium tuberculosis. It is also a versatile building block, used in the synthesis of more complex pharmaceutical compounds.

Upstream & downstream products

Suppliers50 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]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

572 records
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Linked notes

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