5-Bromo-2,3-dimethoxybenzaldehyde

HCID 322405
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Basic information

CAS
71295-21-1
Standard SMILES
COc1cc(Br)cc(C=O)c1OC
InChIKey
RVMWFOFQRYTRHZ-UHFFFAOYSA-N
Molecular formula
C9H9BrO3
Average molar mass
245.07 g/mol
Monoisotopic mass
243.97351

Names & identifiers

Preferred name
5-Bromo-2,3-dimethoxybenzaldehyde
IUPAC
5-bromo-2,3-dimethoxybenzaldehyde
English name
5-Bromo-2 3-dimethoxybenzaldehyde 97
Molecular formula
C9H9BrO3
Molecular weight
245.07

Names & synonyms

5-Bromo-2,3-dimethoxybenzaldehydeDTXSID60314014RefChem:532935DTXCID60265138627-368-071295-21-1MFCD02611624NSC279839Cambridge id 6549019SCHEMBL127848RVMWFOFQRYTRHZ-UHFFFAOYSA-N5-Bromo-2-thoxy-3-mthoxybnzaldhyd
Show more names
5-Bromo-2 3-dimethoxybenzaldehyde 975-BroMo-2,3-diMethoxybenzaldehyde 97%
WCA295215-bromo-2,3-dimethoxy-benzaldehydeSBB099942STK201257AKOS000326676Benzaldehyde, 5-bromo-2,3-dimethoxy-NSC-2798395-bromo-2,3-bis(methyloxy)benzaldehyde

Database identifiers

CAS
71295-21-1
PubChem CID
322405
DTXSID
DTXSID60314014
EC Number
627-368-0
Nikkaji
J2.618.638B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
81 · 81-84 °C (lit.)
Boiling point
312.7 · 312.7±37.0 °C(Predicted)
Density
1.482 · 1.482±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
Appearance
White to off-white Solid
InChI
1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (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

Chemistry & industry

Applications

Uses5-Bromo-2,3-dimethoxybenzaldehyde can be prepared by employing 5-bromo-2-hydroxy-3-methoxybenzaldehyde as a starting reagent.

General Description5-Bromo-2,3-dimethoxybenzaldehyde can be prepared by employing 5-bromo-2-hydroxy-3-methoxybenzaldehyde as a starting reagent.

Upstream & downstream products

Suppliers43 total

上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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