Thymine

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Names

[ CAS No. ]:
65-71-4

[ Name ]:
Thymine

[Synonym ]:
5-Methyl-2,4(1H,3H)-pyrimidinedione
Clospirazine
5-methylpyrimidine-2,4-dione
5-Methyluracil
THYMINE extrapure
Thymine
4-Hydroxy-5-methylpyrimidin-2(1H)-one
2,4(1H,3H)-Pyrimidinedione, 5-methyl-
5-Methylpyrimidine-2,4-diol
ThyMine 5GR
5-Methylpyrimidin-2,4(1H,3H)-dion
2,4-dihydroxy-5-methylpyrimidine
D-THYMIDINE
THYMIN
EINECS 200-616-1
5-Methylpyrimidine-2,4(1H,3H)-dione
MFCD00006026
Zidovudine Impurity 3

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
403.8±37.0 °C at 760 mmHg

[ Melting Point ]:
316 °C

[ Molecular Formula ]:
C5H6N2O2

[ Molecular Weight ]:
126.113

[ Flash Point ]:
198.0±26.5 °C

[ Exact Mass ]:
126.042931

[ PSA ]:
65.72000

[ LogP ]:
-2.09

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.614

[ Storage condition ]:
Store at RT.

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XP2100000
CHEMICAL NAME :
Thymine
CAS REGISTRY NUMBER :
65-71-4
LAST UPDATED :
199707
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C5-H6-N2-O2
MOLECULAR WEIGHT :
126.13
WISWESSER LINE NOTATION :
T6N CNJ BQ DQ E1

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 :
3500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
1 gm/L
REFERENCE :
ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie. (Akademie-Verlag GmbH, Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.) V.1- 1960- Volume(issue)/page/year: 12,583,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7246 No. of Facilities: 437 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 4219 (estimated) No. of Female Employees: 2161 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
XP2100000

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2'-Anhydro-5-methyluridine
  • thiothymine
  • 2-Amino-5-methyl-4(3H)-pyrimidinone
  • 1,3-dibenzyl-5-methylpyrimidine-2,4(1H,3H)-dione
  • 2-Bromohypoxanthine
  • Thymidine
  • 5-bromo-6-hydroxy-5-methyl-1,3-diazinane-2,4-dione
  • n-Butyllithium

DownStream

  • 5-Hydroxymethyluracil
  • 5-Hydroxy-6-hydrothymine
  • 5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
  • 6-hydroxy-5,6-dihydrothymine
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-(9CI)
  • Dihydrothymine
  • cis-thymineglycol
  • 5-chloro-5-methyl-1,3-diazinane-2,4,6-trione
  • trans-5-chloro-6-hydroperoxy-5,6-dihydrothymine

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • Thymine
  • Thymine-d3
  • DH-Thymine
  • Thymine-13C
  • Thymine-d4-1
  • vinylthymine
  • 2,3,3',5',6-Pentabromobiphenyl
  • tert-butyl N-(4-bromo-2-pyridyl)-N-(cyclopropanecarbonyl)carbamate
  • 2,2',3,4,5-Pentabromobiphenyl
  • 6-Chloro-N-(3-fluoro-4-nitrophenyl)pyrimidin-4-amine
  • N-(4-Hydroxy-2-pyridyl)cyclopropanecarboxamide
  • Tert-butyl 4-((5-chloro-6-isopropoxypyridin-3-yl)oxy)-2-fluoro-5-iodobenzoate
  • tert-butyl (2S)-2,4-diaminobutanoate
  • 1-(6-Chloro-3-pyridazinyl)-1H-imidazole-4-carboxaldehyde
  • (R)-1-(2-Chloro-5-fluoropyridin-3-YL)ethan-1-amine
  • 2-(3,4-Dimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
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