벤조일우레아

Benzoylurea

HCID 69190CAS 614-22-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)NC(=O)c1ccccc1
InChIKey: HRYILSDLIGTCOP-UHFFFAOYSA-N
분자식: C8H8N2O2
평균 분자량: 164.16 g/mol
단동위원소 질량: 164.0585775

이름 및 식별자

우선 이름: Benzoylurea
IUPAC: N-carbamoylbenzamide
현지명: 벤조일우레아
영어명: BENZOYLUREA
분자식: C8H8N2O2
분자량: 164.16

이름 및 동의어

BenzoylureaN-carbamoylbenzamideN-BenzoylureaUrea, benzoyl-Benzoic acid, ureideBenzamide, N-(aminocarbonyl)-EINECS 210-372-8UE5G06JM9DNSC 402028BRN 2045538AI3-03751UNII-UE5G06JM9D

이름 더 보기

벤조일우레아NSC402028ST5409882benzoyl-ureZINC00156273

NSC-402028CHEBI:39416DTXSID302103173-09-00-01115 (Beilstein Handbook Reference)RefChem:118817DTXCID30132808Benzamide, N-(aminocarbonyl)-(9CI)210-372-8

데이터베이스 식별자

CAS: 614-22-2
PubChem CID: 69190
DTXSID: DTXSID30210317
ChEBI: CHEBI:39416
UNII: UE5G06JM9D
EC Number: 210-372-8
Nikkaji: J95.770D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 72.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 209 · 209-210°C
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
물리적 상태: powder to crystal
산도 계수 (pKa): 10.79 · 10.79±0.46(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2045538 · 2045538

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (95%)

안전 데이터

rtecs: YR9070000
HS 번호: 2924.21.4500
safety_code: 22-24/25

화학 및 산업

응용 분야 · 1건

개요Benzoylureas have some of the most unusual physical properties of any crop protection chemicals. They are all highly crystalline, lipophilic solids with high melting points. Consequently, they have extremely low vapor pressure, very low water-solubility, and their solubility in many organic solvents is also low.