CAS 164513-39-7 5-Bromo-2-methoxy-4-methylpyridine (HCID 4178002)

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Basic information

CAS: 164513-39-7
Standard SMILES: COc1cc(C)c(Br)cn1
InChIKey: HTBPXLJKMNBQMS-UHFFFAOYSA-N
Molecular formula: C7H8BrNO
Average molar mass: 202.051 g/mol
Monoisotopic mass: 200.97892598

Names & identifiers

Preferred name: 5-Bromo-2-methoxy-4-methylpyridine
IUPAC: 5-Bromo-2-methoxy-4-methylpyridine
English name: 5-Bromo-2-methoxy-4-methylpyridine
Molecular formula: C7H8BrNO
Molecular weight: 202.05

Names & synonyms

5-Bromo-2-methoxy-4-methyL2-METHOXY-5-BROMO-4-PICOLINE5-BROMO-2-METHOXY-4-PICOLINE5-BROMO-2-METHOXY-4-METHYLPYRIDIN2-METHOXY-5-BROMO-4-METHYLPYRIDINE5-BROMO-2-METHOXY-4-METHYLPYRIDINEPyridine, 5-bromo-2-methoxy-4-methyl-5-Bromo-2-methoxy-4-methylpyridine >5-BROMO-2-METHOXY-4-METHYLPYRIDINE, 96+%5-BROMO-2-METHOXY-4-METHYLPYRIDINE ISO 9001：2015 REACH

Database identifiers

CAS: 164513-39-7
PubChem CID: 4178002
DTXSID: DTXSID80400327
EC Number: 626-848-7
Nikkaji: J1.845.474B

Properties

Physicochemical properties

Melting point: 33 · 33-37 °C(lit.)
Boiling point: 229.6 · 229.6±35.0 °C(Predicted)
Density: 1.45 g/ml · 1.45g/ml
Flash point: 225 °F · 225 °F
storage temp.: 0 · 0-10°C
pka: 1.7 · 1.70±0.18(Predicted)
form: powder to crystal
color: White to Almost white
InChI: 1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKey: HTBPXLJKMNBQMS-UHFFFAOYSA-N
SMILES: COc1cc(C)c(Br)cn1
CAS DataBase Reference: 164513 · 164513-39-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338