Basic information
- CAS
67869-90-3- Standard SMILES
O=Cc1ccc2c(c1)OCCCO2- InChIKey
LCSVYSVGXQQHSI-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
- IUPAC
- 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
- English name
- 3,4-Dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde67869-90-3DTXSID40380035RefChem:270986DTXCID80331061820-320-13,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carbaldehydeMFCD018933562H-1,5-Benzodioxepin-7-carboxaldehyde,3,4-dihydro-3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde3,4-dihydro-2h-1,5-benzodioxepine-7-carboxaldehyde2H-1,5-Benzodioxepin-7-carboxaldehyde, 3,4-dihydro-
Show more names
3,4-dihydro-2H-1,5-benzodioxepine-8-carbaldehyde3,4-Dihydro-2H-1,5-benzodioxepine-7-carboxaldehyd3,4-dihydro-2H-1,5-benzodioxepine-8-carboxaldehyde3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde95%3,4-Dihydro-2H-1,5-benzodioxepine-7-carboxaldehyde95%
AKOS000346315SCHEMBL97119SCHEMBL565587LCSVYSVGXQQHSI-UHFFFAOYSA-NALBB-022543SBB089401AS-8626BP-10671
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 120 · 120-122
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- liquid
- color
- Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H412
- Precautionary statements
- 261 · P261-P273-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-51
- Safety Statements
- 26 · 26
- Hazard Note
- Irritant
- HS Code
- 2932990090 · 2932990090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932990090
- risk_code
- 36-51
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335-H412
- Precautionary statements
- P261-P273-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
Related reactions
7 records
Compound notes
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