8-Bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

HCID 16637176

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Basic information

CAS: 860003-88-9
Standard SMILES: O=Cc1cc(Br)c2c(c1)OCCO2
InChIKey: HRSYWPMGIIAQIW-UHFFFAOYSA-N
Molecular formula: C9H7BrO3
Average molar mass: 243.05 g/mol
Monoisotopic mass: 241.95785618

Names & identifiers

Preferred name: 8-Bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
IUPAC: 5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
English name: 8-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBALDEHYDE
Molecular formula: C9H7BrO3
Molecular weight: 243.05

Names & synonyms

860003-88-98-bromo-2,3-dihydro-1,4-benzodioxine-6-carbaldehydeDTXSID80586236RefChem:311808DTXCID80537001868-264-75-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde8-bromo-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehydeMFCD07364381UKRORGSYN-BB BBV-2086991AKOS BBS-000046711,4-Benzodioxin-6-carboxaldehyde, 8-bromo-2,3-dihydro-

Show more names

8-bromo-2H,3H-benzo[e]1,4-dioxin-6-carbaldehydeSCHEMBL1494269HRSYWPMGIIAQIW-UHFFFAOYSA-NKJB00388SBB041096STL191182AKOS000269711SY176966

Database identifiers

CAS: 860003-88-9
PubChem CID: 16637176
DTXSID: DTXSID80586236
EC Number: 868-264-7

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Physicochemical properties

Boiling point: 334.4 · 334.4±42.0 °C(Predicted)
Density: 1.662 · 1.662±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H335-H302-H315-H332-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H312-H335-H302-H315-H332-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362