기본 정보
- 표준 SMILES
CCCCNC(N)=O- InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N- 분자식
- C5H12N2O
- 평균 분자량
- 116.16 g/mol
- 단동위원소 질량
- 116.094963
개요
N-butylurea is an odorless white solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Butylurea
- IUPAC
- butylurea
- 영어명
- N-Butylurea
- 분자식
- C5H12N2O
- 분자량
- 116.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
592-31-4- PubChem CID
- 11595
- DTXSID
DTXSID6020222- ChEMBL
CHEMBL3182932- UNII
- 9CPL5NR15K
- EC Number
- 209-748-4
- Nikkaji
- J1.646B
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
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 72.8
실험 및 물리화학적 성질
Color/Form
TABLETS FROM WATER; NEEDLES FROM BENZENE
WHITE SOLID
Solubility
10 to 50 mg/mL at 64 °F (NTP, 1992)
VERY SOL IN WATER, ALCOHOL
SOL IN ETHER
Melting Point
205 °F (NTP, 1992)
96 °C
Physical Description
N-butylurea is an odorless white solid. (NTP, 1992)
White odorless solid; [Hawley]
물리화학적 성질
- 녹는점
- 95 · 95-98 °C (lit.)
- 끓는 점
- 217.23 °C · 217.23°C (rough estimate)
- 밀도
- 1.0551 · 1.0551 (rough estimate)
- 굴절률
- 1.4432 · 1.4432 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.38 · 14.38±0.46(Predicted)
- 색상
- 하얀색
- 수용성
- 녹는
- BRN
- 1744775 · 1744775
- InChI
- 1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
- InChIKey
- CNWSQCLBDWYLAN-UHFFFAOYSA-N
- SMILES
- CCCCNC(N)=O
- NIST
- Urea, butyl-(592-31-4)
- EPA
- Butylurea (592-31-4)
화학적 성질
WHITE TO ALMOST WHITE CRYSTALLINE POWDER
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Reactivity Profile
N-BUTYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This compound decomposes on heating. (NTP, 1992)
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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.
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)
독성 정보
Interactions
SUBSEDATIVE IP DOSE OF BUTYLUREA POTENTIATED BARBITURATE SLEEPING TIME IN MICE, AN EFFECT WHICH WAS PROLONGED BY SKF-525A. BUTYLUREA PROTECTED MICE AGAINST STRYCHNINE LETHALITY, BUT NOT CONVULSIONS, & PENTETRAZOLE CONVULSIONS BUT NOT LETHALITY.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YS3675000
- HS 번호
- 29241990
- risk_code
- 22-68-37-20/21/22
- hazard_code
- Xn
- safety_code
- 45-36/37-36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 592-31-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
용도n-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.
일반 설명Odorless white solid.
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