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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 147
実験および物理化学的性質
Solubility
> 10% in water
> 10% in ethanol
Melting Point
304 to 324 °F (EPA, 1998)
162 °C
Physical Description
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
- 酸解離定数(Pka)
- 13.14 · 13.14±0.70(Predicted)
- 色
- White to Almost white
- BRN
- 2086802 · 2086802
- CAS データベース
- 614 · 614-78-8(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-(2-Methylphenyl)-2-thiourea(614-78-8)
- EPAの化学物質情報
- (2-Methylphenyl)thiourea (614-78-8)
安全と法規制
GHS分類
GHS Classification
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
Reactivity Profile
When heated to decomposition, it emits very toxic fumes of oxides of nitrogen and sulfur. [EPA, 1998]. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.
CERCLA Reportable Quantities
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.
安全と保護具
Nonfire Spill Response
(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)
Protective Action Criteria (PAC)
4.5 [mg/m3]
50 [mg/m3]
300 [mg/m3]
Personal Protective Equipment (PPE)
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
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
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
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- 有毒物質データの
- 614-78-8(Hazardous Substances Data)
化学と産業
用途と製造
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.
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