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94-44-0

94-44-0 structure
94-44-0 structure

Name Benzyl nicotinate
Synonyms Pyridine-3-carboxylic Acid Benzyl Ester
Pyridine-b-carboxylic Acid Benzyl Ester
Benzyl nicotinate
Benzyl nicotinate (JAN)
benzyl pyridine-3-carboxylate
MFCD00023584
3-Pyridinecarboxylic acid, phenylmethyl ester
nicotinic acid benzyl ester
3-Pyridinecarboxylic acid phenylmethyl ester
EINECS 202-332-3
Density 1.2±0.1 g/cm3
Boiling Point 334.1±17.0 °C at 760 mmHg
Melting Point 24 °C(lit.)
Molecular Formula C13H11NO2
Molecular Weight 213.232
Flash Point 155.8±20.9 °C
Exact Mass 213.078979
PSA 39.19000
LogP 2.65
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.583
Storage condition 2~8℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT0850000
CHEMICAL NAME :
Nicotinic acid, benzyl ester
CAS REGISTRY NUMBER :
94-44-0
BEILSTEIN REFERENCE NO. :
0159169
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H11-N-O2
MOLECULAR WEIGHT :
213.25
WISWESSER LINE NOTATION :
T6NJ CVO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2188 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCTKAG Bromatologia i Chemia Toksykologiczna. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.4- 1971- Volume(issue)/page/year: 12,79,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/38
Safety Phrases S26
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS QT0850000
HS Code 2933399090
HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%