(R,R)-(+-)-1,4-Dimercaptobutan-2,3-diol

D-1,4-Dithiothreitol

HCID 446094CAS 16096-97-2

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Grundinformationen

Standard-SMILES: O[C@H](CS)[C@H](O)CS
InChIKey: VHJLVAABSRFDPM-QWWZWVQMSA-N
Summenformel: C4H10O2S2
Durchschnittliche Molmasse: 154,3 g/mol
Monoisotopische Masse: 154,0122219

Namen und Bezeichner

Bevorzugter Name: D-1,4-Dithiothreitol
IUPAC: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
Lokaler Name: [R-(R*,R*)]-1,4-Dimercaptobutan-2,3-diol
Englischer Name: L-DITHIOTHREITOL
Summenformel: C4H10O2S2
Molmasse: 154.25

Namen und Synonyme

(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOLD-1,4-DithiothreitolD-Dtt(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diolCHEBI:42170RefChem:937663GlyTouCan:G52301ZXG52301ZXDL-1,4-Dithiothreitoldl-Dithiothreitol27565-41-9(2S,3S)-1,4-disulfanylbutane-2,3-diol

Weitere Namen anzeigen

1,4-DITHIO-L-THREITOLL-DTTClelandsDTT (L-ISOMER)L-DITHIOTHREITOLDITHIOTHREITOL, L-L-CLELAND'S REAGENTL-1,4-DITHIOTHREITOLL-Dithiothreitol >DITHIOTHREITOL, L-(RG)

1,4-Dithio-dl-threitol35454-97-8MFCD00004877cis-2,3-Dihydroxy-1,4-butanedithiolDTT(+/-)-1,4-Dimercapto-2,3-butanediolDL-Dithiothreitol(DTT)M02712

Datenbank-Bezeichner

CAS: 16096-97-2、27565-41-9、3483-12-3
PubChem CID: 446094
DTXSID: DTXSID5041017
ChEMBL: CHEMBL1232392、CHEMBL47903
ChEBI: CHEBI:42170
EC Number: 248-531-9
Nikkaji: J64.633D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 52

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWhite powder with an unpleasant odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 51 °C · 51 °C
Siedepunkt: 247.65 °C · 247.65°C (rough estimate)
Dichte: 1.156 · 1.156 (estimate)
Brechungsindex: 26 ° · 26 ° (C=2.5, MeOH)
Flammpunkt: 110 °C · 110 °C
storage temp.: -20 °C · -20°C
Löslichkeit: 2 O: · H2O: soluble50mg/mL, clear to hazy, colorless
Aggregatzustand: solid
pka: 9.28 · 9.28±0.10(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: 2 O: · H2O: 50mg/mL, clear to hazy, colorless
BRN: 2036371 · 2036371
InChI: 1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKey: VHJLVAABSRFDPM-IMJSIDKUSA-N
SMILES: O[C@@H](CS)[C@@H](O)CS
CAS Datenbank: 16096 · 16096-97-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Causes change in righting reflex and alteration of operant conditioning in acute intraperitoneal studies of rats; Intraperitoneal LD50 (mouse) = 169 mg/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 1,4-Dithiothreitol.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (98.1%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (90.6%)

Acute Tox. 4 (97.5%)；Acute Tox. 4 (95%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (95%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

F: 10-13-23
wgk: 3
ridadr: UN 3335
hs_code: 2930.90.9250
RTECS-Nr.: EK1612000
risk_code: 21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenL-DTT [(2R,3R)-1,4-dimercapto-2,3-butanediol; L-dithiothreitol], a chiral bidentate dithiol with two stereogenic centers, may be used in chiroptical response research. L-DDT is proposed as a stereoselective reducing agent for disulfide bridges in complex molecules.