2-Methyl-4-methoxyaniline

4-METHOXY-2-METHYLANILINE · Benzenamine, 4-methoxy-2-methyl- · 2-Methoxy-3-methylaniline · 4-Methoxy-2-methylbenzenamine · AKOS 91136 · NCI-C02993 · M-CRESIDINE · N-cresidine

https://huagongshe.com/ko/chemical/7610

식별자 및 물리적 특성

CAS No.	102-50-1
분자식	C8H11NO
평균 분자량	137.18 g/mol
단동위원소 질량	137.08406397 g/mol
SMILES	COc1ccc(N)c(C)c1
InChIKey	CDGNLUSBENXDGG-UHFFFAOYSA-N
PubChem CID	7610
ChEMBL	CHEMBL1361784
ChEBI	CHEBI:82430
EC No.	203-036-7
DTXSID	DTXSID2020349

화학 및 물리적 성질

XLogP	1.2
극성 표면적	35.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	105
LogP(분배 계수)	log Kow = 1.23
밀도	1.065 (NTP, 1992) - Denser than waterwill sink1.065 @ 25 °C1.065 g/mL at 25 °C(lit.)
Color/Form	Crystals from ligroin
용해도	less than 1 mg/mL at 70.7 °F (NTP, 1992)Very soluble in ethanol아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), DMSO, 메탄올(약간 용해됨)
인화점	greater than 230 °F (NTP, 1992)Flash Point > 230 °F>230 °F
끓는 점	478 to 480 °F at 760 mmHg (NTP, 1992)248.5 °C248-249 °C(lit.)
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
녹는점	55 to 57 °F (NTP, 1992)29.5 °C13-14 °C(lit.)
증기압	0.02 [mmHg]
굴절률	Index of refraction = 1.5647 @ 20 °Cn20/D 1.565(lit.)
Physical Description	Crystals or brick red liquid. (NTP, 1992)Solid or brick-red liquid[CAMEO] Colorless or brown liquidmp = 13-14 deg C[MSDSonline]
Collision Cross Section	124.8 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2020349]135.7 Å² [M+H]+ [CCS Type: DTIonization: ESI+
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	기름
pKa(산도 계수)	5.05±0.10(Predicted)
색상	연한 갈색부터 매우 진한 빨간색까지
용해도	불용성, 21.5&C에서 <0.1g/100mL
BRN	774727
헨리 상수	8.2×101 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	안정적인. 가볍거나 공기에 민감할 수 있습니다. 타기 쉬운. 산, 강한 산화제와 호환되지 않습니다.
InChI	1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKey	CDGNLUSBENXDGG-UHFFFAOYSA-N
SMILES	COc1ccc(N)c(C)c1
NIST	Benzenamine, 4-methoxy-2-methyl-(102-50-1)
EPA	m-Cresidine (102-50-1)

화학적 성질

brick red crystals or liquid

안전 및 규제

GHS 분류	WarningH315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (89.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (10.4%): Suspected of causing cancer [Warning Carcinogenicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
운송 라벨(DOT)	Poison
화재 위험	This chemical is probably combustible. (NTP, 1992)
건강 유해성	ACUTE/CHRONIC HAZARDS: This compound is a local irritant. When heated to decomposition it emits toxic fumes of NOx. This compound is an experimental animal carcinogen. (NTP, 1992)
유해성 요약	An irritant[CAMEO] An irritantCan be absorbed through skinAssociated with tumors of urinary tract and liver in high-dose animal studies[MSDSonline] See p-Cresidine.
반응성 그룹	Amines, Aromatic
Reactivity Profile	M-CRESIDINE neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. Reacts with oxidizing agents (NTP, 1992).
Air and Water Reactions	Sensitive to prolonged exposure to air and light. Insoluble in water.

용도

4-Methoxy-2-methylaniline is a reagent used in organic synthesis of more complex compounds that have a more specific function. For example, enzyme inhibitors.

일반 설명

Crystals or brick red liquid.