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N-(4-Methylphenyl)urea

HCID 12148
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
622-51-5
표준 SMILES
Cc1ccc(NC(N)=O)cc1
InChIKey
DMSHKWHLXNDUST-UHFFFAOYSA-N
분자식
C8H10N2O
평균 분자량
150.18 g/mol
단동위원소 질량
150.07931294

개요

P-tolylurea appears as colorless crystals. (NTP, 1992)

이름 및 식별자

우선 이름
N-(4-Methylphenyl)urea
IUPAC
(4-methylphenyl)urea
영어명
p-Tolylurea
분자식
C8H10N2O
분자량
150.18

이름 및 동의어

P-TOLYLUREA622-51-54-Methylphenylureap-Tolylcarbamide4-TolylureaN-(4-Methylphenyl)ureaUrea, p-tolyl-Urea, (4-methylphenyl)-1-(4-methylphenyl)ureap-methylphenylureaNCI-C02153DTXSID7021366
이름 더 보기
NSC 66557p-tolyl-ureAKOS B028828Urea, p-tolyl.PARA-TOLYLUREAp-tolycarbamide
JCJ6M4A3I5DTXCID901366N-P-TOLYLUREANSC-66557RefChem:169400210-739-21-(p-Tolyl)urea(4-Methylphenyl)urea

데이터베이스 식별자

CAS
622-51-5
PubChem CID
12148
DTXSID
DTXSID7021366
ChEMBL
CHEMBL3187464
UNII
JCJ6M4A3I5
EC Number
210-739-2
Nikkaji
J30.211B

물성

구조 계산 물성

XLogP
1.1
극성 표면적
55.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
139

실험 및 물리화학적 성질

LogP0.8
SolubilitySlightly soluble in hot water (NTP, 1992)
Melting Point361 °F (NTP, 1992)
Physical DescriptionP-tolylurea appears as colorless crystals. (NTP, 1992)

물리화학적 성질

녹는점
178 · 178-181 °C
끓는 점
255 ℃ · 255℃
밀도
1.192 · 1.192
굴절률
1.618 · 1.6180 (estimate)
인화점
108 ℃ · 108℃
저장 조건
2 · 2-8°C
물리적 상태
powder to crystal
산도 계수 (pKa)
14.61 · 14.61±0.50(Predicted)
색상
흰색에서 거의 흰색
수용성
3.07 g/L · 3.07g/L(45℃)
BRN
2208088 · 2208088
EPA
p-Tolylurea (622-51-5)

화학적 성질

beige crystalline powder

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Health HazardsACUTE/CHRONIC HAZARDS: Slightly toxic. Hazardous decomposition products. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1건

P-TOLYLUREA 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).

Air and Water ReactionsSlightly soluble in hot water.
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

안전 및 보호

Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, 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, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol 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 alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate 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.

안전 데이터

rtecs
YU4200000
HS 번호
29242100
risk_code
33
safety_code
24/25
위험 등급
IRRITANT

화학 및 산업

응용 분야

일반 설명Colorless crystals.

상·하류 제품 정보

하류 제품

1-(4-Methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

공급사50 곳

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