N-acetyl-o-toluidine

2-Methylacetaniline · 2'-methylacetanilide · Acet-o-toluidide · N-ACETYL-O-TOLUIDINE · O-ACETOTOLUIDE · O-TOLYLACETAMIDE · O-ACETOTOLUIDIDE · O-ACETOTOLUIDINE

https://huagongshe.com/ko/chemical/8443

식별자 및 물리적 특성

CAS No.	120-66-1
분자식	C9H11NO
평균 분자량	149.19 g/mol
단동위원소 질량	149.08406397 g/mol
SMILES	CC(=O)Nc1ccccc1C
InChIKey	BPEXTIMJLDWDTL-UHFFFAOYSA-N
PubChem CID	8443
ChEMBL	CHEMBL1568309
ChEBI	CHEBI:189137
EC No.	204-414-4
DTXSID	DTXSID1024413

화학 및 물리적 성질

XLogP	0.9
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	144
물질 분류	Nitrogen Compounds -> Other Aromatics (Nitrogen)Dye
SpringerMaterials Properties	Boiling point
밀도	1.168 (NTP, 1992) - Denser than waterwill sink1.168 @ 15 °C
Color/Form	CRYSTALSCOLORLESS
용해도	Insoluble (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ALC, CHLOROFORM, ETHERSOL IN BENZENE, GLACIAL ACETIC ACIDINSOL IN HOT WATER아세톤, 클로로포름, 톨루엔, 벤젠에 약간 용해됩니다.
끓는 점	565 °F at 760 mmHg (NTP, 1992)296 °C
녹는점	230 °F (NTP, 1992)110 °C109-112 °C
증기압	0.000183 [mmHg]
Physical Description	O-acetotoluidide appears as colorless crystals. Insoluble in water. (NTP, 1992)Colorless solid[HSDB] Colorless crystalline powder[Alfa Aesar MSDS]
Other Experimental Properties	UV: 831 (Sadtler Research Laboratories Spectral Collection) /3-Methylacetanilide/UV: 2664 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /4-Methylacetanilide/
굴절률	1.5279 (estimate)
인화점	296°C
저장 조건	Sealed in dry,Room Temperature
물리적 상태	고체
pKa(산도 계수)	15.13±0.70(Predicted)
색상	바늘같은 물질
Merck	14,74
BRN	2207054
InChI	InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey	BPEXTIMJLDWDTL-UHFFFAOYSA-N
SMILES	C(NC1=CC=CC=C1C)(=O)C
EPA	o-Acetotoluidide (120-66-1)

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류	WarningH302 (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 543 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Acetamide, N-(2-methylphenyl)-
건강 유해성	ACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. (NTP, 1992)
유해성 요약	Enlarged livers with severe hydropic swelling and fatty changes observed in rats at high doses (44-fold excess molar dose)[HSDB] A skin and strong eye irritant[Alfa Aesar MSDS]
반응성 그룹	Amides and Imides
Reactivity Profile	O-ACETOTOLUIDIDE is an amide. Amides react with azo and diazo compounds to generate toxic gases. 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 Reactions	Water insoluble.
Hazard Classes and Categories	Acute Tox. 4 (100%)
응급 처치	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.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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 contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

용도

o-Methylacetanilide is a substituted acetanilide that is used as precursor for various pharmaceuticals including their intermediates.

일반 설명

Colorless crystals. Insoluble in water.