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3-Bromobenzaldehyde(CAS No. 3132-99-8)

3-Bromobenzaldehyde C7H5BrO (cas 3132-99-8) Molecular Structure

3132-99-8 Structure

Identification and Related Records

【Name】
3-Bromobenzaldehyde
【Iupac name】
3-bromobenzaldehyde
【CAS Registry number】
3132-99-8
【Synonyms】
3-Bromobenzaldehyde 98 %
【EINECS(EC#)】
221-526-9
【Molecular Formula】
C7H5BrO (Products with the same molecular formula)
【Molecular Weight】
185.02
【Inchi】
InChI=1/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
【InChIKey】
SUISZCALMBHJQX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)Br)C=O
【MOL File】
3132-99-8.mol

Chemical and Physical Properties

【Appearance】
Solid or clear yellow liquid.
【Density】
1.587
【Melting Point】
18-21℃
【Boiling Point】
228-230℃
【Refractive Index】
1.592-1.596
【Flash Point】
96℃
【Water】
DECOMPOSES
【Solubilities】
DECOMPOSES
【Color/Form】
very faintly to deep brownish-yellow
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29130000
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:185.018 [g/mol]
Molecular Formula:C7H5BrO
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:183.952377
MonoIsotopic Mass:183.952377
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Formal Charge:0
Complexity:103
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S26;S36
【HazardClass】
6.1(b)
【Hazard Note】

Irritant

【PackingGroup 】
III
【Sensitive】
Air Sensitive
【Transport】
2810

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-21-61723543

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