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Butylurea

HCID 11595
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
592-31-4
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

N-BUTYLUREAButylurea592-31-41-ButylureaUrea, butyl-NCI-C021319CPL5NR15KDTXSID6020222NSC-2597DTXCID20222RefChem:163071209-748-4
이름 더 보기
butyl-ureUREA,BUTYL-monobutylureaurea,N-butyl-N-n-ButylureaButylurea >
Urea, N-butyl-MFCD00007956HSDB 5497UNII-9CPL5NR15KNSC 2597EINECS 209-748-4BRN 1744775AI3-52319

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 물성보충 중

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

Chemical ClassesNitrogen Compounds -> Urea Compounds
SpringerMaterials PropertiesBoiling point
LogP0.41
OdorODORLESS
Color/Form · 2건

TABLETS FROM WATER; NEEDLES FROM BENZENE

WHITE SOLID

Solubility · 3건

10 to 50 mg/mL at 64 °F (NTP, 1992)

VERY SOL IN WATER, ALCOHOL

SOL IN ETHER

Melting Point · 2건

205 °F (NTP, 1992)

96 °C

Vapor Pressure0.03 [mmHg]
Physical Description · 2건

N-butylurea is an odorless white solid. (NTP, 1992)

White odorless solid; [Hawley]

Other Experimental PropertiesDECOMPOSES ON HEATING

물리화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound emits toxic fumes when heated to decomposition. (NTP, 1992)
Hazards SummaryA CNS depressant; [ChemIDplus] Affects sister chromatid exchange in in-vitro studies; [HSDB] Causes general anesthesia and somnolence in parenteral lethal-dose studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity Profile · 1건

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)

Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

용도 및 제조

UsesUsed as oxidizing agent for copper; [NTP]
General Manufacturing InformationUrea, N-butyl-: ACTIVE

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.

관련 반응

19건
반응 기록 만들기
HRID 247548 반응식
HRID 247548반응물로uspto-grants-1987_11
HRID 542248 반응식
HRID 542248반응물로uspto-grants-1987_04
HRID 571407 반응식
HRID 571407반응물로uspto-grants-2015_05
HRID 667664 반응식
HRID 667664반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 894095 반응식
HRID 894095반응물로uspto-grants-1981_08
HRID 942292 반응식
HRID 942292반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 984661 반응식
HRID 984661반응물로uspto-grants-2005_03
HRID 1076644 반응식
HRID 1076644반응물로uspto-grants-1976_05
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
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 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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) · 1건

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 · 1건

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.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsMUTAGENICITY: MUTATION RESEARCH 87: 17 (1981). SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, NON-HUMAN: POSITIVE.

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)