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Basic information
- CAS
51593-69-2- Standard SMILES
O=CC1=Cc2ccccc2OC1- InChIKey
RISKINCQRSLFRK-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxaldehyde
- IUPAC
- 2H-chromene-3-carbaldehyde
- English name
- 2H-Chromene-3-carbaldehyde
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
2H-chromene-3-carbaldehyde51593-69-22H-1-BENZOPYRAN-3-CARBOXALDEHYDEBRN 1282422DTXSID40199543RefChem:484166DTXCID00122034976-911-0InChI=1/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2h-chromene-3-carboxaldehydeMFCD016624142 H -Chromene-3-carbaldehyde
Show more names
TIMTEC-BB SBB010136IFLAB-BB F1673-13063-CHROMENCARBOXALDEHYDE2H-chromene-3-carbaldehyde(SALTDATA: FREE)
2H-1-Benzopyran-3-carbaldehyde2H-chromene-3-carbaldehyde, BRN 1282422, 2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, ALBB-007354, CID40066, SBB010136, ZINC00159000, LS-39039, 5-17-10-00166 (Beilstein Handbook Reference), 51593-69-2, InChI=1/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7Hchromene-3-carbaldehyde2H-chromen-3-carbaldehyd2 h-chromene-3-carbaldehydeorb3022502SCHEMBL2006177SCHEMBL2568148
Database identifiers
- CAS
51593-69-2- PubChem CID
- 40066
- DTXSID
DTXSID40199543- EC Number
- 976-911-0
- Nikkaji
- J132.069F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 170 · 170-174 °C
- Boiling point
- 106 °C · 106 °C
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- CAS DataBase Reference
- 51593 · 51593-69-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-52
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- RTECS
- 2220000 · DJ2220000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DJ2220000
- hs_code
- 2932990090
- risk_code
- 36-52
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers34 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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