CAS 534-13-4 N,N'-Dimethylthiourea (HCID 2723631)

이름 및 식별자

우선 이름: N,N'-Dimethylthiourea
IUPAC: 1,3-dimethylthiourea
영어명: N,N'-DIMETHYLTHIOUREA
분자식: C3H8N2S
분자량: 104.17

이름 및 동의어

N,N'-DIMETHYLTHIOUREA1,3-DimethylthioureaThiourea, N,N'-dimethyl-sym-Dimethylthiourea1,3-Dimethyl-2-thioureaDimethylthiocarbamide1,3-DimethylisothioureaDimethyl-2-thioureaUrea, 1,3-dimethyl-2-thio-DTXSID2042191EINECS 208-588-2NSC 8727

이름 더 보기

dimethylsulfourean,n’-dimethyl-thioure1,3-Dimethylthioureap

UNII-8P30PMD17WBRN 060545461805-96-7DTXCID0022191AI3-16377NSC-87274-04-00-00217 (Beilstein Handbook Reference)(CH3NH)2CS

데이터베이스 식별자

CAS: 534-13-4
PubChem CID: 2723631
DTXSID: DTXSID2042191
ChEMBL: CHEMBL3189044
UNII: 8P30PMD17W
EC Number: 208-588-2
Nikkaji: J9.407B

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 56.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 46

실험 및 물리화학적 성질

Kovats Retention Index945

물리화학적 성질

녹는점: 61 · 61-63 °C
끓는 점: 155 °C · 155 °C (0.7501 mmHg)
밀도: 1.055 · 1.055 (estimate)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 200 °C · 200 °C
저장 조건: 30 °C · Store below +30°C.
용해도: 1000 g/l · 1000g/l(실험적)
물리적 상태: 결정, 결정질 분말 및/또는 덩어리
산도 계수 (pKa): 14.98 · 14.98±0.70(Predicted)
색상: 무색~백색
수소이온지수(pH): 6.5 · 6.5 (100g/l, H2O, 20℃)
수용성: 1000 g/L · 1000g/L (experimental)
Merck: 14 · 14,3261
BRN: 605454 · 605454
InChI: 1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: VLCDUOXHFNUCKK-UHFFFAOYSA-N
SMILES: CNC(=S)NC
NIST: Thiourea, N,N'-dimethyl-(534-13-4)
EPA: N,N'-Dimethylthiourea (534-13-4)

화학적 성질

colorless to white crystals, crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.

Danger

H301 (43.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (21.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (19.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H317 (78.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 88 reports by companies.；There are 5 notifications provided by 87 of 88 reports by companies with hazard statement code(s).；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

Regulatory Information · 2건

Chemical: Thiourea, N,N'-dimethyl-

Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (43.2%)；Acute Tox. 4 (21.6%)；Acute Tox. 4 (19.3%)；Skin Sens. 1 (78.4%)

규제 정보

Regulatory Information · 2건

Chemical: Thiourea, N,N'-dimethyl-

Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: YT1520000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29309090
risk_code: 25-43
hazard_code: T
safety_code: 36/37-45
포장분류: III
위험 등급: 6.1(b)
기존화학 물질: KE-11875
F 고인화성물질: 3-10
Hazard Classifications: Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.