CAS 7507-86-0 2-Bromo-5-methoxybenzaldehyde (HCID 344480)

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Basic information

CAS: 7507-86-0
Standard SMILES: COc1ccc(Br)c(C=O)c1
InChIKey: XNHKTMIWQCNZST-UHFFFAOYSA-N
Molecular formula: C8H7BrO2
Average molar mass: 215.04 g/mol
Monoisotopic mass: 213.96294156

Names & identifiers

Preferred name: 2-Bromo-5-methoxybenzaldehyde
IUPAC: 2-bromo-5-methoxybenzaldehyde
English name: 2-Bromo-5-methoxybenzaldehyde
Molecular formula: C8H7BrO2
Molecular weight: 215.04

Names & synonyms

2-bromo-5-methoxybenzaldehyde7507-86-0benzaldehyde, 2-bromo-5-methoxy-2-Bromo-5-methoxy-benzaldehydeDTXSID10322503RefChem:85777DTXCID10273622628-602-4InChI=1/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3-Methoxy-6-bromobenzaldehydeMFCD00463817NSC401439

Show more names

2-BROMO-4-METHOXYBENZALDEHYDEEOS-60499AKOS B0042794-Bromo-3-formylanisole2-Bromo-5-methoxybenzaL2-Bromo-5-methoxybenzalde2-Bromo-5-methoxybenzaldehyde 97%

bromo-5-methoxybenzaldehydeSCHEMBL5846832-bromo-5-methoxylbenzaldehyde2-Bromo-5-methoxybenzaldehyde, 97%NSC-401439AC-23057EN300-114568Z1079442692

Database identifiers

CAS: 7507-86-0
PubChem CID: 344480
DTXSID: DTXSID10322503
EC Number: 628-602-4
Nikkaji: J364.173B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 71 · 71-76 °C
Boiling point: 284.3 · 284.3±20.0 °C(Predicted)
Density: 1.522 · 1.522±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
form: Solid
color: White to Off-White
InChI: InChI=1S/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey: XNHKTMIWQCNZST-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=CC=C1Br
CAS DataBase Reference: 7507 · 7507-86-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
hs_code: 2913000090
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications

Uses2-Bromo-5-methoxybenzaldehyde is used in preparation of Benzimidazole Quinolines. Also, used in preparation of Cyclopentenes, Polycycles, Benzocarbocycles/N-Heterocycle derivatives.