Basic information
- CAS
23731-06-8- Standard SMILES
O=Cc1cc(CCl)ccc1O- InChIKey
WFACWTZLXIFJCM-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0134572
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-2-hydroxybenzaldehyde
- IUPAC
- 5-(chloromethyl)-2-hydroxybenzaldehyde
- English name
- 5-(Chloromethyl)-2-hydroxybenzaldehyde
- Molecular formula
- C8H7ClO2
- Molecular weight
- 170.59
Names & synonyms
5-(Chloromethyl)-2-hydroxybenzaldehyde23731-06-85-(Chloromethyl)salicylaldehydeBenzaldehyde, 5-(chloromethyl)-2-hydroxy-3-Formyl-4-hydroxybenzyl chloride2,5-Cresotaldehyde, .alpha.-chloro-2,5-Cresotaldehyde, alpha-chloro-5-Chloromethyl salicylaldehydeDTXSID10319332RefChem:101773DTXCID70270455WFACWTZLXIFJCM-UHFFFAOYSA-N
Show more names
AKOS BBS-00006713Coumarin impurity 12-(CHLOROMETHYL)-2-HYDROXYBENZALDEHYDE
2-hydroxy-5-chloromethylbenzaldehydeMFCD002269775-Chloromethylsalicylaldehyde5-chloromethyl-2-hydroxybenzaldehydeUNII-D6XAK85SFUD6XAK85SFU5-Chloromethyl-2-hydroxy-benzaldehydeNSC-343759
Database identifiers
- CAS
23731-06-8- PubChem CID
- 335291
- DTXSID
DTXSID10319332- UNII
- D6XAK85SFU
- EC Number
- 880-176-0
- Nikkaji
- J102.343H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 84 · 84-85 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 281.4 · 281.4±30.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 7.93 · 7.93±0.31(Predicted)
- color
- White to Pale Grey
- FDA UNII
- 6 XAK85SFU · D6XAK85SFU
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- HS Code
- 2913000090 · 2913000090
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Applications
Uses5-(Chloromethyl)-2-hydroxybenzaldehyde (cas# 23731-06-8) is a useful reagent for the synthesis of bis-heterocyclic derivatives and benzo-fused macrocycles containing oxazolone or imidazolone subunits.
Upstream & downstream products
Upstream raw materials
Suppliers65 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.
Related reactions
15 records
Compound notes
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