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505-23-7

505-23-7 structure
505-23-7 structure
  • Name: 1,3-Dithiane
  • Chemical Name: 1,3-dithiane
  • CAS Number: 505-23-7
  • Molecular Formula: C4H8S2
  • Molecular Weight: 120.236
  • Catalog: Chemical reagent Organic reagent Thiol/thiophenol
  • Create Date: 2018-06-18 02:34:24
  • Modify Date: 2024-01-02 19:14:31
  • 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
Name 1,3-dithiane
Synonyms Dithiane-1,3
1,3-Dithiacyclohexane
1,3-dithaine
EINECS 208-006-7
META-DITHIANE
[1,3]dithiane
1,3-Dithian
1,3-dihtiane
M-DITHIANE
1,3-Dithiane
1,3-Dithane
MFCD00006654
Description 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
Related Catalog
Target

Human Endogenous Metabolite

References

[1]. Lee H, et al. Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test. Mutat Res. 1994 Jun;321(4):213-8.

[2]. Martinez RA, et al. Synthesis of isotopically labeled 1,3-dithiane. J Labelled Comp Radiopharm. 2014 May 15;57(5):338-41.
Density 1.1±0.1 g/cm3
Boiling Point 195.0±23.0 °C at 760 mmHg
Melting Point 52-54 °C(lit.)
Molecular Formula C4H8S2
Molecular Weight 120.236
Flash Point 90.6±0.0 °C
Exact Mass 120.006737
PSA 50.60000
LogP 1.14
Vapour Pressure 0.6±0.4 mmHg at 25°C
Index of Refraction 1.574

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JO5070000
CHEMICAL NAME :
m-Dithiane
CAS REGISTRY NUMBER :
505-23-7
LAST UPDATED :
199412
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C4-H8-S2
MOLECULAR WEIGHT :
120.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
80 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Phrases 20/21/22
Safety Phrases S22-S24/25
RIDADR UN 1325 4.1/PG 2
WGK Germany 3
RTECS JO5070000
Packaging Group III
Hazard Class 4.1
HS Code 29349990
HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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title: CAS No. 505-23-7 | Chemsrc address: https://www.chemsrc.com/en/baike/242918.html

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