N-(2-Methylphenyl)thiourea

HCID 2787703

기본 정보

CAS
614-78-8
표준 SMILES
Cc1ccccc1NC(N)=S
InChIKey
ACLZYRNSDLQOIA-UHFFFAOYSA-N
분자식
C8H10N2S
평균 분자량
166.25 g/mol
단동위원소 질량
166.05646932

개요

Thiourea, (2-methylphenyl)- is a crystalline solid. (EPA, 1998)

이름 및 식별자

우선 이름
N-(2-Methylphenyl)thiourea
IUPAC
(2-methylphenyl)thiourea
영어명
N-(2-Methylphenyl)thiourea
분자식
C8H10N2S
분자량
166.24

이름 및 동의어

o-Tolylthiourea614-78-8(2-Methylphenyl)thioureaN-(2-METHYLPHENYL)THIOUREAN-(o-Tolyl)thiourea1-(2-Methylphenyl)thiourea2-Tolylthiourea1-o-Tolyl-2-thioureaThiourea, (2-methylphenyl)-Urea, 2-thio-1-o-tolyl-Thiourea, 1-(2-tolyl)-HSDB 6399
이름 더 보기
AURORA 18706AKOS BBS-00000755ortho-Tolylthioureathiourea,1-(2-tolyl)2-thio-1-o-tolyl-ure2-THIO-1-O-TOLYLUREA
NSC 5786EINECS 210-395-34K71RZN35HThiourea, N-(2-methylphenyl)-AI3-24571NSC-5786DTXSID6060634N-(2-METHYLPHENYL)THIOUREA [HSDB]

데이터베이스 식별자

CAS
614-78-8
PubChem CID
2787703
DTXSID
DTXSID6060634
ChEMBL
CHEMBL1088658
UNII
4K71RZN35H
EC Number
210-395-3
Nikkaji
J48.970K

물성

구조 계산 물성

XLogP
0.9
극성 표면적
70.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Thiourea Compounds
Color/FormNeedles (from dilute ethanol, water)
Solubility · 2건

> 10% in water

> 10% in ethanol

Melting Point · 2건

304 to 324 °F (EPA, 1998)

162 °C

Vapor Pressure0.000002 [mm Hg] @25 °C
Physical Description · 2건

Thiourea, (2-methylphenyl)- is a crystalline solid. (EPA, 1998)

Solid; [HSDB] Powder; [Alfa Aesar MSDS] Colorless odorless solid; [FAHAZMAT]

물리화학적 성질

녹는점
149 °C · 149 °C
끓는 점
275.5 · 275.5±33.0 °C(Predicted)
밀도
1.1332 · 1.1332 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (13.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire HazardsWhen heated to decomposition, it emits very toxic fumes of oxides of nitrogen and sulfur. (EPA, 1998)
Health HazardsThe material is highly toxic if orally ingested. (EPA, 1998)
Hazards SummaryMay cause skin, eye, and respiratory tract irritation; [CAMEO] A skin, eye, nose, and lung irritant; [ToxPlanet: FAHAZMAT] An irritant; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides

안전 및 보호

Fire Fighting(Non-Specific -- Poisonous Solid, n.o.s.) Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing.
First AidWarning: Effects may be delayed for up to 72 hours. Caution is advised.
Nonfire Spill Response · 1건

(Non-Specific -- Poisonous Solid, n.o.s.) Keep unnecessary people away, isolate hazard area and deny entry. Stay upwind and keep out of low areas. Do not touch spilled material, stop leak if you can do so without risk. Absorb small spills with sand or other noncombustible material and place into containers for later disposal. For large spills, dike far ahead of spill for later disposal. (EPA, 1998)

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

4.5 [mg/m3]

50 [mg/m3]

300 [mg/m3]

Personal Protective Equipment (PPE) · 1건

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

독성 정보

Human Toxicity Excerpts · 1건

In the manufacture of rubber, irritant contact dermatitis may occur from a variety of acids, alkalies, detergents, and solvents used in the process. Allergic contact dermatitis occurs not infrequently and is almost always due to an organic accelerator or antioxidant. While the list of potential sensitizing accelerators and antioxidants is enormous, common allergens include ... thioureas. /Thioureas/

규제 정보

CERCLA Reportable Quantities · 1건

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Thiourea, (2-methylphenyl)- is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500/10,000 lbs.

안전 데이터

tsca
TSCA listed
rtecs
YU2975000
ridadr
2811
HS 번호
2930.90.2900
risk_code
20/21/22-36/37/38
hazard_code
Xn

화학 및 산업

용도 및 제조

General Manufacturing InformationThiourea, N-(2-methylphenyl)-: ACTIVE

응용 분야

일반 설명Crystalline solid.

공급사69 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

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