D-1,4-Dithiothreitol (HCID 446094)

名称と識別子

優先名称: D-1,4-Dithiothreitol
IUPAC: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
現地名: L-ジチオトレイトール
英語名: L-DITHIOTHREITOL
分子式: C4H10O2S2
分子量: 154.25

名称と別名

(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

名称をさらに表示

L-ジチオトレイトール(2R,3R)-2,3-ジヒドロキシ-1,4-ブタンジチオール[2R,3R,(-)]-2,3-ジヒドロキシ-1,4-ブタンジチオールL-1,4-ジチオトレイトールL-Cleland試薬L-クレランド試薬(2R,3R)-1,4-ジメルカプト-2,3-ブタンジオール1,4-ジチオ-L-スレイトール(2R,3R)-(-)-1,4-ジメルカプト-2,3-ブタンジオール(2R,3R)-(-)-2,3-ジヒドロキシ-1,4-ブタンジチオールL-(−)-ジチオトレイトールL-DTT(2R,3R)-1,4-ジスルファニルブタン-2,3-ジオール(2R,3R)-1,4-ジメルカプトブタン-2,3-ジオール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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.4
極性表面積: 42.5 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 52

実験および物理化学的性質

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

物理化学的性質

融点: 51 °C · 51 °C
沸点: 247.65 °C · 247.65°C (rough estimate)
比重(密度): 1.156 · 1.156 (estimate)
屈折率: 26 ° · 26 ° (C=2.5, MeOH)
闪点: 110 °C · 110 °C
貯蔵温度: -20 °C · -20°C
溶解性: 2 O: · H2O: 可溶50mg/mL、透明～もや、無色
外見: 個体
酸解離定数(Pka): 9.28 · 9.28±0.10(Predicted)
色: White to Almost white
水溶解度: 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 データベース: 16096 · 16096-97-2(CAS DataBase Reference)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Hazards Summary · 1 件

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 件

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%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

F: 10-13-23
wgk: 3
rtecs: EK1612000
ridadr: UN 3335
hs_code: 2930.90.9250
risk_code: 21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用L-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.