Methyl nicotinate

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Names

[ CAS No. ]:
93-60-7

[ Name ]:
Methyl nicotinate

[Synonym ]:
EINECS 202-261-8
NIACIN METHYL ESTER
Methyl nictinate
Methylpyridin-3-carboxylat
3-methoxycarbonylpyridine
nicotinic acid methyl ester
methylnicotinicacid
3-pyridinecarboxylic acid methyl ester
MFCD00006388
3-Pyridinecarboxylic acid, methyl ester
methyl 3-nicotinate
Methyl nicotinate
Nikomet
FEMA 3709
pyridine-3-carboxylic acid methyl ester
Nicometh
methyl 3-pyridinecarboxylate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
209.0±0.0 °C at 760 mmHg

[ Melting Point ]:
42-44 °C(lit.)

[ Molecular Formula ]:
C₇H₇NO₂

[ Molecular Weight ]:
137.136

[ Flash Point ]:
95.6±0.0 °C

[ Exact Mass ]:
137.047684

[ PSA ]:
39.19000

[ LogP ]:
0.88

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.511

[ Water Solubility ]:
NEGLIGIBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT1925000

CHEMICAL NAME :: Nicotinic acid, methyl ester

CAS REGISTRY NUMBER :: 93-60-7

BEILSTEIN REFERENCE NO. :: 0113951

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H7-N-O2

MOLECULAR WEIGHT :: 137.15

WISWESSER LINE NOTATION :: T6NJ CVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,428,1948

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,691,1955 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80460 No. of Facilities: 100 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 2857 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ 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-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
QT1925000

[ HS Code ]:
2936290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Methyl nicotinate 1-oxide
3-Bromopyridine
Methanol
carbon monoxide
Nicotinaldehyde
Nicotinic acid
Velcorin
isobutylmagnesium chloride
N-Boc-glycine N'-methoxy-N'-methylamide
3-pyridyl trifluoromethanesulfonate

DownStream

1,3-Propanedione,1-phenyl-3-(3-pyridinyl)-
methyl 1-phenacylpyridin-1-ium-3-carboxylate,bromide
methyl 2-(4-fluorophenyl)pyridine-3-carboxylate
dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate
2,2,2-Trifluoro-1-(3-pyridinyl)ethanone
Methyl 6-methylnicotinate
Methyl 4,6-dimethylnicotinate
Methyl 4-methylnicotinate
Methyl 2-methoxynicotinate
Methyl 6-methoxynicotinate

Customs

[ 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%

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