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페닐유레아

Phenylurea

HCID 6145
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
64-10-8
표준 SMILES
NC(=O)Nc1ccccc1
InChIKey
LUBJCRLGQSPQNN-UHFFFAOYSA-N
분자식
C7H8N2O
평균 분자량
136.15 g/mol
단동위원소 질량
136.06366288

개요

Phenyl urea pesticide, liquid, poisonous appears as a liquid dissolved or suspended in a liquid carrier. Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea. Carrier is water emulsifiable. Toxic by inhalation, skin absorption, or ingestion. Obtain the technical name of the specific pesticide and carrier from the shipping papers and contact CHEMTREC, 800-424-9300 for response information.

이름 및 식별자

우선 이름
Phenylurea
IUPAC
phenylurea
현지명
페닐유레아
영어명
Phenylurea
분자식
C7H8N2O
분자량
136.15

이름 및 동의어

1-PhenylureaPHENYLUREAN-Phenylurea64-10-8PhenylcarbamideMonophenylureaUrea, N-phenyl-amino-N-phenylamideDTXSID8042507NSC-2781862I85399WDTXCID6022507
이름 더 보기
N-페닐우레아페닐유레아VHphenyl-urestabilizervhUrea,phenyl-AKOS B029810
RefChem:164121200-576-5Urea, phenyl-Stabilizer VHStabilisator VHPhenyl-ureaN-phenylcarbamimidic acidphenyl urea

데이터베이스 식별자

CAS
64-10-8
PubChem CID
6145
DTXSID
DTXSID8042507
ChEMBL
CHEMBL168445
ChEBI
CHEBI:180992
UNII
862I85399W
EC Number
200-576-5
Nikkaji
J4.834H

물성

구조 계산 물성보충 중

XLogP
0.8
극성 표면적
55.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.83
Physical Description · 1건

Phenyl urea pesticide, liquid, poisonous appears as a liquid dissolved or suspended in a liquid carrier. Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea. Carrier is water emulsifiable. Toxic by inhalation, skin absorption, or ingestion. Obtain the technical name of the specific pesticide and carrier from the shipping papers and contact CHEMTREC, 800-424-9300 for response information.

물리화학적 성질

녹는점
145 · 145-147 °C(lit.)
끓는 점
238 °C · 238 °C
밀도
1 · 1,302 g/cm3
증기 밀도
1 · >1 (vs air)
굴절률
1.5769 · 1.5769 (estimate)
인화점
238 °C · 238°C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
2 O: · H2O: 10 mg/mL, 투명
산도 계수 (pKa)
13.37 · 13.37±0.50(Predicted)

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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Urea, N-phenyl-

Phenylurea: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Reactive GroupAmides and Imides
Reactivity Profile · 1건

Organic 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). Contains any of several related compounds (Diuron, Fenuron, Linuron, Neburon, Siduron, Monuron) formally derived from urea.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories

화학 및 산업

용도 및 제조

General Manufacturing InformationUrea, N-phenyl-: ACTIVE
응용 분야 · 2건

용도Phenylureas are commonly used soil-applied herbicides for control of grass and small-seeded broadleaf weeds.

일반 설명Phenylurea is the core structural unit of phenylurea herbicides (PUHs), such as diuron, fenuron, linuron, monuron, isoproturon, monolinuron and chlortoluron. As photosynthesis inhibitors, phenylurea herbicides are widely used in various crops for the pre-emergence and post-emergence control of broadleaf and annual weeds. These herbicides are used on major food crops, including maize (Zea mays) and tomato (Solanum lycopersicum), to control weeds such as lamb’s quarters (Chenopodium album), amaranth (Amaranthus spp.) and barnyard grass (Echinochloa crus-galli)[1].

제조 방법 · 1건

Phenylurea is synthesized by the reaction of aniline and urea. Put urea, hydrochloric acid and aniline into the reaction pot, heat and stir, reflux at 100-104°C for 1 hour, add water and stir, cool, filter, wash the filter cake with water, and dry to obtain the finished product of phenylurea.

상·하류 제품 정보

하류 제품

4-PHENYLSEMICARBAZIDE4-우레이도-벤젠설포닐염화물1,4-디페닐세미카르바자이드N-시아노-N-페닐-p-톨루엔술폰아미드

관련 반응

58건
반응 기록 만들기
HRID 2326 반응식
HRID 2326반응물로uspto-grants-1998_03
HRID 16995 반응식
HRID 16995반응물로uspto-grants-2010_06
HRID 27992 반응식
HRID 27992반응물로uspto-grants-1980_09
HRID 78989 반응식
HRID 78989반응물로uspto-grants-2014_09
HRID 107624 반응식
HRID 107624반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 304883 반응식
HRID 304883생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 359268 반응식
HRID 359268반응물로uspto-grants-1991_03
HRID 441326 반응식
HRID 441326반응물로uspto-grants-1977_08
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화합물 노트

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물리적 상태
분말, 결정 및/또는 덩어리
색상
흰색에서 밝은 노란색
수용성
물에 용해됩니다.
Merck
14 · 14,7319
BRN
1934615 · 1934615
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
LUBJCRLGQSPQNN-UHFFFAOYSA-N
SMILES
NC(=O)Nc1ccccc1
EPA
Urea, phenyl- (64-10-8)

화학적 성질

Colorless needle-like crystals or off-white powder. Melting point 147°C(decomposition), soluble in hot water, hot alcohol, ether, ethyl acetate and acetic acid.

Acute Tox. 4 (100%)

안전 및 보호

Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
First AidExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
YU0650000
독성
LD50 oral in rat: 2gm/kg
HS 번호
29242100
risk_code
22
hazard_code
Xn
safety_code
22-36/37-24/25
기존화학 물질
KE-28453
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
N-(4-METHOXYBENZYLIDENE)ANILINE
3-메틸-2-퀴녹살리놀
4-BROMOPHENYLUREA
4-[(아닐리노카보닐)아미노]벤조산
2,4,6(1H,3H,5H)-Pyrimidinetrione,1-phenyl-
디우론
3-(4-클로로페닐)-1,1-디메틸요소
리누론
페루론
BUTURON
메토브로뮤론