5-Chlorosalicyl alcohol
Basic information
- CAS
5330-38-1- Standard SMILES
OCc1cc(Cl)ccc1O- InChIKey
AFPSETMCMFRVPG-UHFFFAOYSA-N- Molecular formula
- C7H7ClO2
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.01345714
Names & identifiers
- Preferred name
- 5-Chlorosalicyl alcohol
- IUPAC
- 4-chloro-2-(hydroxymethyl)phenol
- English name
- 5-CHLORO-2-HYDROXYBENZYL ALCOHOL
- Molecular formula
- C7H7ClO2
- Molecular weight
- 158.58
Names & synonyms
5-Chlorosalicyl alcoholBenzenemethanol, 5-chloro-2-hydroxy-EINECS 226-225-6AI3-24057DTXSID60201450NSC 2468RefChem:535013DTXCID60123941226-225-65330-38-15-Chloro-2-hydroxybenzyl alcohol4-chloro-2-(hydroxymethyl)phenol
Show more names
RARECHEM AL BD 00415-chloro-2-hydroxybenzenemethylol5-Chloro-2-hydroxybenzylalcohol,98%
MFCD000219675-chlorosaligenin5-Chloro-2-hydroxybenzenemethanol4-chloro-2-hydroxymethylphenolNSC-2468NSC24682-(Hydroxymethyl)-4-chlorophenolSaligenin, 5-chloro-
Database identifiers
- CAS
5330-38-1- PubChem CID
- 79238
- DTXSID
DTXSID60201450- UNII
- FTK27HHL2M
- EC Number
- 226-225-6
- Nikkaji
- J298.010J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LogP1.44
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 258.2 · 258.2±10.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 9.48 · 9.48±0.18(Predicted)
- Appearance
- Off-white to light yellow Solid
- CAS DataBase Reference
- 5330 · 5330-38-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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