o-トリルチオ尿素

N-(2-Methylphenyl)thiourea

HCID 2787703

基本情報

CAS
614-78-8
標準SMILES
Cc1ccccc1NC(N)=S
InChIKey
ACLZYRNSDLQOIA-UHFFFAOYSA-N
分子式
C8H10N2S
平均分子量
166.25 g/mol
単同位体質量
166.05646932

概要

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

名称と識別子

優先名称
N-(2-Methylphenyl)thiourea
IUPAC
(2-methylphenyl)thiourea
現地名
o-トリルチオ尿素
英語名
N-(2-Methylphenyl)thiourea
分子式
C8H10N2S
分子量
166.24

名称と別名

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
名称をさらに表示
o-トリルチオ尿素モノ-o-トリルチオ尿素1-(2-メチルフェニル)-2-チオ尿素O-トリルチオ尿素, 98+%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]

データベース識別子

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

物性

構造計算による物性

XLogP
0.9
極性表面積
70.1 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
1
重原子数
11

実験および物理化学的性質

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

> 10% in water

> 10% in ethanol

Melting Point · 2 件

304 to 324 °F (EPA, 1998)

162 °C

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

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

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

物理化学的性質

融点
149 °C · 149 °C
沸点
275.5 · 275.5±33.0 °C(Predicted)
比重(密度)
1.1332 · 1.1332 (rough estimate)
屈折率
1.55 · 1.5500 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
外見
powder to crystal

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全と保護具

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 · 1 件

(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) · 3 件

4.5 [mg/m3]

50 [mg/m3]

300 [mg/m3]

Personal Protective Equipment (PPE) · 1 件

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)

毒性情報

Human Toxicity Excerpts · 1 件

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/

法規制情報

CERCLA Reportable Quantities · 1 件

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.

安全データ

tsca
TSCA listed
rtecs
YU2975000
ridadr
2811
hs_code
2930.90.2900
risk_code
20/21/22-36/37/38
化審法
(3)-2207

化学と産業

用途と製造

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

応用分野

用途ゴム加硫促進剤、有機合成原料。

一般的な説明Crystalline solid.

サプライヤー69 社

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]

関連反応

30 件

化合物ノート

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