2-브로모-N-페닐-아세트아미드

2-Bromo-N-phenylacetamide

HCID 94818CAS 5326-87-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CBr)Nc1ccccc1
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
분자식: C8H8BrNO
평균 분자량: 214.06 g/mol
단동위원소 질량: 212.97892598

이름 및 식별자

우선 이름: 2-Bromo-N-phenylacetamide
IUPAC: 2-bromo-N-phenylacetamide
현지명: 2-브로모-N-페닐-아세트아미드
영어명: 2-Bromo-N-phenyl-acetamide
분자식: C8H8BrNO
분자량: 214.06

이름 및 동의어

2-Bromo-N-phenylacetamide5326-87-4CCRIS 1812NSC 4080DTXSID10201384RefChem:85833DTXCID101238752-bromo-N-phenyl-acetamideMFCD00462518N-phenyl-2-bromoacetamideAcetamide, 2-bromo-N-phenyl-2-Bromoacetoanilide

이름 더 보기

2-브로모-N-페닐-아세트아미드AKOS BB/01402-bromo-N-phenyl-ethanamidephenylcarbaMoylMethylbroMide2-bromo-N-phenylacetamide(SALTDATA: FREE)

Acetamide,bromo-N-phenyl- (9CI)BromacetanilidCHEMBRDG-BB 4023663N-Phenylbromoacetamide2-bromo-n-phenyl acetamidephenylcarbamoylmethyl bromideAKOS BBB/492(2-Bromoacetyl)amino benzene

데이터베이스 식별자

CAS: 5326-87-4
PubChem CID: 94818
DTXSID: DTXSID10201384
EC Number: 979-515-6
Nikkaji: J443.957K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 132 °C · 132 °C(Solv: ethanol (64-17-5); water (7732-18-5))
끓는 점: 353.3 · 353.3±25.0 °C(Predicted)
밀도: 1.577 · 1.577±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 12.53 · 12.53±0.70(Predicted)
InChI: 1S/C8H8BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
SMILES: BrCC(=O)Nc1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2924190090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

제조 방법 · 1건

A clean iodine flask rinsed with distilled water was taken and addition of 10 ml solution of 10 % sodium carbonate was done. Then 0.05g of aniline was poured and mixedevenly. Then slow and safe addition of acid was done and shaken properly until ppts of acetamide appeared. Filtered it and dried the ppts. Confirmation of reaction was checked by performing TLC. Solid product then obtained was weighed and kept.