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1,3-Dithiane structure, CAS 505-23-7

1,3-Dithiane

CAS Number505-23-7

SynonymsDithiane-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

Molecular FormulaC4H8S2

Molecular Weight120.24

Purity97%

Density1.1±0.1 g/cm3

Boiling Point195.0±23.0 °C at 760 mmHg

Melting Point52-54 °C (lit.)

Flash Point

Appearancesolid

EINECS208-006-7

MSDSChineseEnglish

Symbol4.1

Signal WordWarning

Cat. No.: 2A-9022357 Purity: 97%
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Quality Control of [ 505-23-7 ] Purity: 97% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number505-23-7
Catalog No.2A-9022357
Chinese Name1,3-二噻烷
SynonymsDithiane-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
Molecular FormulaC4H8S2
Molecular Weight120.24
Purity97
Density1.1±0.1 g/cm3
Boiling Point195.0±23.0 °C at 760 mmHg
Melting Point52-54 °C (lit.)
Appearancesolid
Storage ConditionStore sealed and placed in a ventilated, dry envir
PackagingIII
Application1,3-Dithiane is a protected formaldehyde anionic equivalent that can be used as a useful labeled synthon. 1,3-Dithiane is a sulfur-containing Maillard reaction product (MRPs) found in cooked beef extr
EINECS208-006-7
HTC29349990
PubChem ID24849705
MDL NumberMFCD00006654
SMILESC1CSCSC1
InChI1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
InChI KeyWQADWIOXOXRPLN-UHFFFAOYSA-N
Beilstein/REAXYS102534
NACRES CodeNA.22
UNSPSC12352100
Hazard Symbols4.1
MSDSmsds/22357_1_505_23_7.pdf
Bioactivity1,3-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 Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial 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. Chemical & Physical Properties 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 InChIKey WQADWIOXOXRPLN-UHFFFAOYSA-N SMILES C1CSCSC1
Use of1,3-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]. Properties Articles12 Name 1,3-dithiane Synonym More Synonyms 1,3-Dithiane Biological Activity 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 Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial 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. Chemical & Physical Properties Molecular Formula C4H8S2 Exact Mass 120.006737 PSA 50.60000 Index of Refraction 1.574 InChIKey WQADWIOXOXRPLN-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: 3335 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods Aviation regulated solid, n.o.s. (1,3-Dithiane) 14.3 Transport hazard categories European land transport danger code: -International sea transport danger code: -International air transport danger code: 9 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Transport Dangerous Regulations: -International Air Transport Dangerous Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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