L-1,4-二硫代苏糖醇 (HCID 446094)

名称与标识

首选名称: D-1,4-Dithiothreitol
IUPAC: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
中文名: L-1,4-二硫代苏糖醇
英文名: L-DITHIOTHREITOL
分子式: C4H10O2S2
分子量: 154.25

名称与别名

(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

展开更多名称

L-二硫苏糖醇4-二硫代苏糖醇L-二硫代苏糖醇L-1,4-二硫代苏糖醇(-)-1,4-二硫代-L-苏糖醇(2R,3R)-1,4-二巯基-2,3-丁二醇L-1,4-二硫代苏糖醇,10 MM DMSO 溶液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

数据库标识

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

性质

结构计算性质

XLogP: -0.4
极性表面积: 42.5 Å²
氢键供体: 4
氢键受体: 4
可旋转键: 3
重原子: 8
形式电荷: 0
复杂度: 52

实验与物化性质

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

物理化学性质

熔点: 51 °C · 51 °C
沸点: 247.65 °C · 247.65°C (rough estimate)
密度: 1.156 · 1.156 (estimate)
折射率: 26 ° · 26 ° (C=2.5, MeOH)
闪点: 110 °C · 110 °C
储存条件: -20 °C · -20°C
溶解度: 2 O: · H2O: soluble50mg/mL, clear to hazy, colorless
酸度系数(pKa): 9.28 · 9.28±0.10(Predicted)
形态: solid
颜色: White to Almost white
水溶解性: 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 数据库: 16096 · 16096-97-2(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

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.

危害信息

Hazards Summary · 1 条

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 条

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%)