Basic information
- CAS
412338-41-1- Standard SMILES
Oc1ccc2c(c1)CCOC2- InChIKey
YXPMZDNYHFWZJI-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- 3,4-dihydro-1H-2-benzopyran-6-ol
- IUPAC
- 3,4-dihydro-1H-isochromen-6-ol
- English name
- 1H-2-Benzopyran-6-ol, 3,4-dihydro- (9CI)
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
412338-41-13,4-dihydro-1H-2-benzopyran-6-olRefChem:486062870-478-0isochroman-6-ol3,4-dihydro-1H-isochromen-6-olMFCD184163901H-2-Benzopyran-6-ol, 3,4-dihydro- (9CI)3,4-DIHYDRO-6-HYDROXY-1H-2-BENZOPYRANSCHEMBL6988847MRA33841AKOS024049526
Show more names
1H-2-Benzopyran-6-ol, 3,4-dihydro-BS-51000SY369864DB-416654CS-0199423N13209EN300-1600380F634451
Database identifiers
- CAS
412338-41-1- PubChem CID
- 20523922
- EC Number
- 870-478-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 153 · 153-162 °C(Press: 7 Torr)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 9.87 · 9.87±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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, 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
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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