아세토아세트-오르토-톨루이디드

2'-Methylacetoacetanilide

HCID 7154CAS 93-68-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)CC(=O)Nc1ccccc1C
InChIKey
TVZIWRMELPWPPR-UHFFFAOYSA-N
분자식
C11H13NO2
평균 분자량
191.23 g/mol
단동위원소 질량
191.09462866

이름 및 식별자

우선 이름
2'-Methylacetoacetanilide
IUPAC
N-(2-methylphenyl)-3-oxobutanamide
현지명
아세토아세트-오르토-톨루이디드
영어명
2'-Methylacetoacetanilide
분자식
C11H13NO2
분자량
191.23

이름 및 동의어

2'-Methylacetoacetanilide93-68-5N-(2-Methylphenyl)-3-oxobutanamideO-AcetoacetotoluidideN-Acetoacetyl-o-toluidineAcetoacet-o-toluidide2-Acetoacetylaminotoluene2-AcetoacetotoluidideAcetoacet-o-toluidineButanamide, N-(2-methylphenyl)-3-oxo-Acetoacetyl-2-methylanilideNSC 7655
이름 더 보기
아세토아세트-오르토-톨루이디드o-아세토아세토톨루이다이드2-메틸아세토아세트아닐라이드N-(2-메틸페닐)-3-오쏘부탄아마이드O-메틸아세트토아세트아닐라이드아세토아세트-O-톨루이다이드아세토아세트산 2-메틸아닐라이드아세토아세틸-2-메틸아닐라이드2'-메틸아세토아세타닐리드AAOTAATOAKOS B029147O-Acetoacetoluidide2'-MethylacetoacetanAcetoacet-O-toludideAcetoAcet-O-Toluilide
Acetoacet-ortho-toluidideAcetoaceto-ortho-toluidideMCN1GV8J3RCCRIS 7750DTXSID3026562UNII-MCN1GV8J3REINECS 202-267-0BRN 2099098

데이터베이스 식별자

CAS
93-68-5
PubChem CID
7154
DTXSID
DTXSID3026562
ChEMBL
CHEMBL1893178
UNII
MCN1GV8J3R
EC Number
202-267-0
Nikkaji
J4.680I

물성

구조 계산 물성

XLogP
1.3
극성 표면적
46.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionCBI
Collision Cross Section154.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3026562]

물리화학적 성질

녹는점
104 · 104-106 °C(lit.)
끓는 점
326.97 °C · 326.97°C (rough estimate)
밀도
1.06 · 1.06
증기압
0.01 hPa · 0.01 hPa ( 20 °C)
굴절률
1.522 · 1.5220 (estimate)
인화점
143 °C · 143°C

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302+H312+H332 (16.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 236 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 4건

Chemical: Butanamide, N-(2-methylphenyl)-3-oxo-

Butanamide, N-(2-methylphenyl)-3-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanamide, N-(2-methylphenyl)-3-oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14256

Butanamide, N-(2-methylphenyl)-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
AK6550000
독성
LD50 orl-rat: 1600 mg/kg KODAK* -,N-229,76
HS 번호
29242990
risk_code
22-20/21/22

화학 및 산업

용도 및 제조

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing

Butanamide, N-(2-methylphenyl)-3-oxo-: ACTIVE

응용 분야

용도2'-Methylacetoacetanilide is used as intermediate for the manufacture of organic pigments as well as for the manufacture of agrochemicals.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

관련 반응

1건
반응 기록 만들기

연결된 노트

불러오는 중…