Vitamin B1

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Names

[ CAS No. ]:
59-43-8

[ Name ]:
Vitamin B1

[Synonym ]:
3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
Vitamin B1
thiamine hydrochloride
MFCD00044586
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride
Aneurin
thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride
Thiamine chloride
5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
EINECS 200-425-3
Thiaminium chloride
Thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1)
Thiamine
Thiamine monochloride

Chemical & Physical Properties

[ Density]:
6 g/cm3

[ Melting Point ]:
125 °C

[ Molecular Formula ]:
C12H17ClN4OS

[ Molecular Weight ]:
300.808

[ Exact Mass ]:
300.081146

[ PSA ]:
104.15000

[ LogP ]:
1.99090

[ Water Solubility ]:
soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI6550000
CHEMICAL NAME :
Thiamine, chloride
CAS REGISTRY NUMBER :
59-43-8
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H17-N4-O-S.Cl
MOLECULAR WEIGHT :
300.84
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Multiple routes
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
214 mg/kg/30W-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 30,407,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
301 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,444,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
20 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 8,175,1961 *** REVIEWS *** TOXICOLOGY REVIEW IRXPAT International Review of Experimental Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 3,219,1964 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,365,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82022 No. of Facilities: 1673 (estimated) No. of Industries: 7 No. of Occupations: 9 No. of Employees: 5002 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82022 No. of Facilities: 813 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 18939 (estimated) No. of Female Employees: 9502 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S26-S36/37/39-S22

[ HS Code ]:
3004500000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiamine hydrochloride
  • [3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-methanone
  • 4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE
  • 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-2-hydroxymethyl-4-methyl-thiazolium, chloride monohydrochloride
  • Thiothiamine
  • Methanol
  • 2-(α-hydroxybenzyl)thiaminium chloride

DownStream

  • Furil
  • furan-2-yl-[5-(2-hydroxy-ethyl)-4-methyl-thiazol-2-yl]-methanone
  • 2,2'-Furoin
  • 2-methylthiolan-3-one
  • Sulfurol
  • 2-Methyltetrahydrofuran-3-one
  • UNII:99G79565PJ
  • UNII:QI84S5GN0K
  • 2-Methyl-3-furanthiol
  • Furfural

Customs

[ HS Code ]: 3004500000

Related Compounds

  • VITAMIN B1
  • Vitamin B12
  • Vitamin B15
  • vitamin B12a
  • vitamin B12a
  • Vitamin B1 Mono
  • N-Benzyl-2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-D]pyrimidin-2-YL]sulfanyl}acetamide
  • N-(4-ethoxyphenyl)-2-{[3-(4-methylbenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
  • 7-chloro-2-(3-ethoxyphenyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
  • 7-Chloro-2-(4-fluorophenyl)-3H,4H,5H-chromeno[2,3-D]pyrimidine-4-thione
  • 2-(2,3-dimethoxyphenyl)-9-methoxy-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
  • 9-ethoxy-2-(2,3,4-trimethoxyphenyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
  • 2-(3-ethoxyphenyl)-7-methyl-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
  • 2-(3-ethoxyphenyl)-9-methyl-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
  • 7-bromo-2-(2,3-dimethoxyphenyl)-9-methoxy-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
  • 7-chloro-2-(2-ethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione
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