Basic information
- CAS
99585-10-1- Standard SMILES
CCOc1ccc(C=O)cc1Cl- InChIKey
ZYDPBMFCTQAEMR-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.02910721
Names & identifiers
- Preferred name
- 3-Chloro-4-ethoxybenzaldehyde
- IUPAC
- 3-chloro-4-ethoxybenzaldehyde
- English name
- CHEMBRDG-BB 4015100
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
3-chloro-4-ethoxybenzaldehyde99585-10-1MFCD062461713-chloro-4-ethoxy-benzaldehydeBenzaldehyde, 3-chloro-4-ethoxy-SCHEMBL5667254-ethoxy-3-chloro-benzaldehydeSCHEMBL2702726SCHEMBL17010245SCHEMBL22322112SCHEMBL30902399DTXSID70406378
Show more names
3-chloro-4-ethoxybenzaldehyde(SALTDATA: FREE)
ZYDPBMFCTQAEMR-UHFFFAOYSA-NCHEMBRDG-BB 4015100BBL023770STL289228AKOS000111492SY079304VS-07507CS-0151508
Database identifiers
- CAS
99585-10-1- PubChem CID
- 4770035
- DTXSID
DTXSID70406378
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 283.8 · 283.8±20.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P362+P364-P280
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- HazardClass
- IRRITANT
- HS Code
- 2914500090 · 2914500090
Safety & regulation
Safety data
- hs_code
- 2914500090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H318-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P362+P364-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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烟台盛凯伦生物制品有限公司13356901049 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
8 records
Compound notes
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