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3'-메틸아세트아닐리드

N-(3-Methylphenyl)acetamide

HCID 10843
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
537-92-8
표준 SMILES
CC(=O)Nc1cccc(C)c1
InChIKey
ALMHSXDYCFOZQD-UHFFFAOYSA-N
분자식
C9H11NO
평균 분자량
149.19 g/mol
단동위원소 질량
149.08406397

개요

N-acetyl-m-toluidine is a white solid. (NTP, 1992)

이름 및 식별자

우선 이름
N-(3-Methylphenyl)acetamide
IUPAC
N-(3-methylphenyl)acetamide
현지명
3'-메틸아세트아닐리드
영어명
3'-Methylacetanilide
분자식
C9H11NO
분자량
149.19

이름 및 동의어

3'-Methylacetanilide537-92-8N-Acetyl-m-toluidinem-Acetotoluidem-AcetotoluidideN-(3-METHYLPHENYL)ACETAMIDEm-Methylacetanilidem-Tolylacetamide3-AcetamidotolueneN-m-TolylacetamideAceto-m-aminotolueneAcetotoluide
이름 더 보기
3'-메틸아세트아닐리드M-ACETOTOLUIDINEAcetamide, N-(3-methylphenyl)-NSC 3103N-(m-Tolyl)N-AcetotoluidineN-AcetyltoluidineM-TOLYL-ACETAMIDE
N-Acetyl-3-methylaniline1-Acetamido-3-methylbenzeneDTXSID6024412KY86R0888BNSC-3103DTXCID304412RefChem:800337208-678-1

데이터베이스 식별자

CAS
537-92-8
PubChem CID
10843
DTXSID
DTXSID6024412
ChEMBL
CHEMBL1528164
UNII
KY86R0888B
EC Number
208-678-1
Nikkaji
J6.366E

물성

구조 계산 물성

XLogP
1.7
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11
형식 전하
0
복잡도
144

실험 및 물리화학적 성질

LogP1.52
Density1.141 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point577 °F at 760 mmHg (NTP, 1992)
Melting Point149.9 °F (NTP, 1992)
Physical DescriptionN-acetyl-m-toluidine is a white solid. (NTP, 1992)

물리화학적 성질

녹는점
65 · 65-67 °C (lit.)
끓는 점
303 °C · 303 °C (lit.)
밀도
1.141 · 1.1410
증기압
16 mm · 16 mm Hg ( 163 °C)
굴절률
1.5279 · 1.5279 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
알코올: 자유롭게 용해됨(lit.)
물리적 상태
powder to crystal
산도 계수 (pKa)
15.12 · 15.12±0.70(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]

P261, P264, P264+P265, P270, P271, P280, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1건

N-ACETYL-M-TOLUIDINE is an amide. Flammable gases are formed by the reaction of organic amides 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 ReactionsWater insoluble.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetamide, N-(3-methylphenyl)-: INACTIVE

응용 분야

일반 설명White solid.

상·하류 제품 정보

하류 제품

2-아미노-3,4-디메틸-3H-이미다조(4,5-F)퀴놀린4-브로모-3-메틸아닐린벤젠설포닐클로라이드,4-(아세틸아미노)-2-메틸-(9CI)

공급사84 곳

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温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

관련 반응

10건
반응 기록 만들기
HRID 98532 반응식
HRID 98532생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 238953 반응식
HRID 238953반응물로uspto-grants-2014_02
HRID 496155 반응식
HRID 496155생성물로uspto-grants-2005_09
HRID 680134 반응식
HRID 680134생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 846497 반응식
HRID 846497생성물로uspto-grants-1992_08
HRID 944368 반응식
HRID 944368생성물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 974408 반응식
HRID 974408생성물로uspto-grants-1991_11
HRID 1492419 반응식
HRID 1492419반응물로uspto-grants-1994_12
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
색상
White to Light gray to Light yellow
Merck
14 · 14,74
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChI
1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
ALMHSXDYCFOZQD-UHFFFAOYSA-N
SMILES
CC(=O)Nc1cccc(C)c1
NIST
N-(3-Tolyl)acetic acid amide(537-92-8)
EPA
m-Acetotoluidide (537-92-8)

화학적 성질

white crystalline solid

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, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol 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 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated 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. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AN2875000
독성
LD50 orl-mus: 1450 mg/kg TXAPA9 19,20,71
HS 번호
29242998
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids
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