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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 147
실험 및 물리화학적 성질
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]
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
- 산도 계수 (pKa)
- 13.14 · 13.14±0.70(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 2086802 · 2086802
- NIST
- 1 · 1-(2-Methylphenyl)-2-thiourea(614-78-8)
- EPA
- (2-Methylphenyl)thiourea (614-78-8)
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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)
독성 정보
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/
규제 정보
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.
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
- safety_code
- 22-26-36/37/39
- 포장분류
- III
- 위험 등급
- 6.1
- 유해 물질 데이터
- 614-78-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
일반 설명Crystalline solid.
상·하류 제품 정보
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하류 제품
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