기본 정보
- 표준 SMILES
C=CCNC(N)=O- InChIKey
VPJDULFXCAQHRC-UHFFFAOYSA-N- 분자식
- C4H8N2O
- 평균 분자량
- 100.12 g/mol
- 단동위원소 질량
- 100.06366288
이름 및 식별자
- 우선 이름
- Allylurea
- IUPAC
- prop-2-enylurea
- 영어명
- Allylurea
- 분자식
- C4H8N2O
- 분자량
- 100.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
557-11-9- PubChem CID
- 11181
- DTXSID
DTXSID2024450- UNII
- 0CZM19WLK8
- EC Number
- 209-157-1
- Nikkaji
- J5.213B
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 79
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 84 · 84-86 °C(lit.)
- 끓는 점
- 168 ℃ · 168℃
- 밀도
- 1.008 · 1.008
- 굴절률
- 1.4487 · 1.4487 (estimate)
- 인화점
- 55 ℃ · 55℃
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.94 · 13.94±0.46(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- Merck
- 14 · 14,298
- BRN
- 1745068 · 1745068
- InChI
- 1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
- InChIKey
- VPJDULFXCAQHRC-UHFFFAOYSA-N
- SMILES
- NC(=O)NCC=C
- EPA
- Allyl urea (557-11-9)
화학적 성질
white to light yellow crystals, crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YR7875000
- HS 번호
- 29241900
- risk_code
- 20/21/22-37
- hazard_code
- Xn
- safety_code
- 36/37
- 기존화학 물질
- KE-29758
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도manufacture of allylthiourea; corrosion inhibitors.
일반 설명Cream colored powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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