CAS 4005-51-0|2-Amino-1,3,4-thiadiazole

Introduction：Basic information about CAS 4005-51-0|2-Amino-1,3,4-thiadiazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2-Amino-1,3,4-thiadiazole
CAS Number4005-51-0Molecular Weight101.130
Density1.5±0.1 g/cm3Boiling Point238.9±23.0 °C at 760 mmHg
Molecular FormulaC2H3N3SMelting Point187-192 ºC
MSDS/Flash Point98.3±22.6 °C

Names

Name2-Amino-1,3,4-thiadiazole
SynonymMore Synonyms

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point238.9±23.0 °C at 760 mmHg
Melting Point187-192 ºC
Molecular FormulaC2H3N3S
Molecular Weight101.130
Flash Point98.3±22.6 °C
Exact Mass101.004768
PSA80.04000
LogP-0.57
Vapour Pressure0.0±0.5 mmHg at 25°C
Index of Refraction1.663
InChIKeyQUKGLNCXGVWCJX-UHFFFAOYSA-N
SMILESNc1nncs1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI3000000
CHEMICAL NAME :
1,3,4-Thiadiazole, 2-amino-
CAS REGISTRY NUMBER :
4005-51-0
BEILSTEIN REFERENCE NO. :
0107135
LAST UPDATED :
199712
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C2-H3-N3-S
MOLECULAR WEIGHT :
101.14
WISWESSER LINE NOTATION :
T5NN DSJ CZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
REFERENCE :
TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 35,68,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JHMJAX Johns Hopkins Medical Journal. (Baltimore, MD) V.120-151, 1967-82. Discontinued. Volume(issue)/page/year: 130,95,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6500 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
REFERENCE :
TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 35,68,1976 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 16,654,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
CPHPA5 Jiepou Xuebao. Journal of Anatomy. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1-9, 1953-66; V.10- 1979- Volume(issue)/page/year: 12,212,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
CPHPA5 Jiepou Xuebao. Journal of Anatomy. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1-9, 1953-66; V.10- 1979- Volume(issue)/page/year: 12,212,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - hepatobiliary system Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 27,29A,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1600 mg/kg
SEX/DURATION :
female 1-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 5,250,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1600 mg/kg
SEX/DURATION :
female 1-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 5,250,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - body wall Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
JEEMAF Journal of Embryology and Experimental Morphology. (Essex, UK) V.1-98, 1953-86. For Publisher information, see DEVPED Volume(issue)/page/year: 30,257,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - gastrointestinal system
REFERENCE :
JEEMAF Journal of Embryology and Experimental Morphology. (Essex, UK) V.1-98, 1953-86. For Publisher information, see DEVPED Volume(issue)/page/year: 30,257,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
175 mg/kg
SEX/DURATION :
female 10-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
JHMJAX Johns Hopkins Medical Journal. (Baltimore, MD) V.120-151, 1967-82. Discontinued. Volume(issue)/page/year: 130,95,1972

Safety Information

Hazard CodesXn:Harmful;
Risk PhrasesR20/21/22;R36/37/38;R63;R68
Safety PhrasesS36/37/39-S26-S36
RIDADR2811
RTECSXI3000000
Packaging GroupIII
Hazard Class6.1
HS Code2934999090

Customs

HS Code2934999090
Summary2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

T5NN DSJ CZ
X 26
FDA 0084
Aminothiadiazole
TF 128
1,3,4-thiadiazol-2-amine
1,3,4-thiadiazol-2-ylamine
2-AMino-1
2-Amino-1,3,4-thiadiazole
EINECS 223-657-7
MFCD00003107
aminothiadazole
5-amino-1,3,4-thiadiazole
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