CAS 4053-45-6 8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1) (HCID 12269596)

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Basic information

CAS: 4053-45-6
Standard SMILES: Cl.Oc1ccc(CCl)c2cccnc12
InChIKey: BDQGTRWOFVSOQX-UHFFFAOYSA-N
Molecular formula: C10H9Cl2NO
Average molar mass: 230.09 g/mol
Monoisotopic mass: 229.00611927

Names & identifiers

Preferred name: 8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1)
IUPAC: 5-(chloromethyl)quinolin-8-ol;hydrochloride
English name: 5-(Chloromethyl)-8-quinolinol hydrochloride
Molecular formula: C10H9Cl2NO
Molecular weight: 230.09

Names & synonyms

5-(chloromethyl)quinolin-8-ol hydrochlorideDTXSID808840278-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1)NSC 83066RefChem:548409DTXCID401023500866-003-15-(Chloromethyl)-8-quinolinol4053-45-65-(CHLOROMETHYL)-8-QUINOLINOL HYDROCHLORIDEMFCD017905145-(chloromethyl)quinolin-8-ol;hydrochloride

Show more names

SKL220Aids125750Aids-125750TIMTEC-BB SBB000700IFLAB-BB F2124-00068-quinolinol, 5-(chloromethyl)-

5-(chloromethyl)quinolin-8-ol hcl5-chloromethyl-8-hydroxyquinoline hydrochlorideNSC830665-(Chloromethyl)-8-hydroxyquinoline hydrochlorideSCHEMBL143943CHEMBL4583195SCHEMBL31286548NSC-83066

Database identifiers

CAS: 4053-45-6
PubChem CID: 12269596
DTXSID: DTXSID80884027
ChEMBL: CHEMBL4583195
EC Number

Properties

Computed structural properties

Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 280 °C · 280 °C (decomp)
storage temp.: 2 · 2-8°C
EPA Substance Registry System: 8 · 8-Quinolinol, 5-(chloromethyl)-, hydrochloride (1:1) (4053-45-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2933499090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501