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N-메틸벤즈아마이드

N-Methylbenzamide

HCID 11954
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
613-93-4
표준 SMILES
CNC(=O)c1ccccc1
InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-N
분자식
C8H9NO
평균 분자량
135.16 g/mol
단동위원소 질량
135.06841391

개요

N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름
N-Methylbenzamide
IUPAC
N-methylbenzamide
현지명
N-메틸벤즈아마이드
영어명
N-Methylbenzamide
분자식
C8H9NO
분자량
135.16

이름 및 동의어

N-METHYLBENZAMIDE613-93-4Benzamide, N-methyl-N-MethylbenzenamideN-MethylbenzenecarboxamideDTXSID5025570K3ED781E08NSC-42944DTXCID605570RefChem:163800210-362-3N-Methyl-benzamide
이름 더 보기
N-메틸벤자마이드N-메틸벤즈아마이드1MVRn-methyl-benzamidN-Methylbenzamide, 95%N-METHYLBENZAMIDE, 99+%N-MethylbenzaMide, 99+% 10GR
MFCD00011642CCRIS 4670EINECS 210-362-3NSC 42944BRN 1209880UNII-K3ED781E08AI3-01069N-methyl benzamide

데이터베이스 식별자

CAS
613-93-4
PubChem CID
11954
DTXSID
DTXSID5025570
ChEMBL
CHEMBL275261
UNII
K3ED781E08
EC Number
210-362-3
Nikkaji
J47.669B

물성

구조 계산 물성

XLogP
0.9
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
116

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.05
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling Point556 °F at 760 mmHg (NTP, 1992)
Melting Point180 °F (NTP, 1992)
Vapor Pressure0.00052 [mmHg]
Physical Description · 2건

N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)

Off-white solid; [CAMEO] Off-white crystalline powder; [MSDSonline]

물리화학적 성질

녹는점
76 · 76-78 °C (lit.)
끓는 점
167 °C/11 · 167 °C/11 mmHg (lit.)
밀도
1.1031 · 1.1031 (rough estimate)
굴절률

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H302 (97.8%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzamide, N-methyl-

N-methylbenzamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides
Reactivity Profile · 1건

N-METHYLBENZAMIDE 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 ReactionsInsoluble in water.

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzamide, N-methyl-: INACTIVE

응용 분야

용도N-Methylbenzamide is an important pesticide intermediate. It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor.

관련 반응

37건
반응 기록 만들기
HRID 46808 반응식
HRID 46808반응물로uspto-grants-1979_11
HRID 209015 반응식
HRID 209015생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 247617 반응식
HRID 247617반응물로uspto-grants-1987_11
HRID 267748 반응식
HRID 267748반응물로uspto-grants-1976_03
HRID 343468 반응식
HRID 343468생성물로uspto-grants-1999_01
HRID 343469 반응식
HRID 343469생성물로uspto-grants-1999_01
HRID 370911 반응식
HRID 370911반응물로uspto-grants-1985_07
HRID 600383 반응식
HRID 600383반응물로uspto-grants-2011_03
1 / 5 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
1.5589 · 1.5589 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
50 mg/mL, · 에탄올: 용해성50mg/mL, 투명, 황록색
산도 계수 (pKa)
15 · 15.00±0.46(Predicted)
물리적 상태
Solid
색상
White to off-white
수용성
물에 불용성.
InChI
InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-N
SMILES
C(NC)(=O)C1=CC=CC=C1
EPA
N-Methylbenzamide (613-93-4)

화학적 성질

N-methylbenzamide is an off-white crystalline solid.

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 및 보호

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

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
CV5570000
HS 번호
2924299090
risk_code
20/21/22-22
hazard_code
Xn
safety_code
24/25
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids