Basic information
- CAS
58236-92-3- Standard SMILES
CC(C)Oc1ccc(C=O)cc1Cl- InChIKey
QRNHTYNFCASAAF-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.04475727
Names & identifiers
- Preferred name
- 3-Chloro-4-isopropoxybenzaldehyde
- IUPAC
- 3-chloro-4-propan-2-yloxybenzaldehyde
- English name
- 3-chloro-4-isopropoxybenzaldehyde
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
3-Chloro-4-isopropoxybenzaldehyde58236-92-33-chloro-4-propan-2-yloxybenzaldehydeMFCD02629659SCHEMBL566457DTXSID70402097QRNHTYNFCASAAF-UHFFFAOYSA-N3-chloro-4-iso-propoxybenzaldehyde3-chloro-4-isopropoxy-benzaldehydeAKOS0002978693-Chloro-4-[(propan-2-yl)oxy]benzaldehydeCS-0194643
Show more names
Benzaldehyde, 3-chloro-4-(1-methylethoxy)-
E89638F632095A1-00999
Database identifiers
- CAS
58236-92-3- PubChem CID
- 4339889
- DTXSID
DTXSID70402097- EC Number
- 185-280-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 98 · 98-100 °C(Press: 0.5 Torr)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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