D-1,4-Dithiothreitol (HCID 446094)

이름 및 식별자

우선 이름: D-1,4-Dithiothreitol
IUPAC: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
영어명: L-DITHIOTHREITOL
분자식: C4H10O2S2
분자량: 154.25

이름 및 동의어

(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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 52

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 51 °C · 51 °C
끓는 점: 247.65 °C · 247.65°C (rough estimate)
밀도: 1.156 · 1.156 (estimate)
굴절률: 26 ° · 26 ° (C=2.5, MeOH)
인화점: 110 °C · 110 °C
저장 조건: -20 °C · -20°C
용해도: 2 O: · H2O: 용해성50mg/mL, 투명~흐릿함, 무색
물리적 상태: 고체
산도 계수 (pKa): 9.28 · 9.28±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 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

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Hazards Summary · 1건

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 · 2건

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%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
rtecs: EK1612000
ridadr: UN 3335
HS 번호: 2930.90.9250
risk_code: 21/22-36/37/38
hazard_code: Xn
safety_code: 26-36/37
F 고인화성물질: 10-13-23
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도L-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.