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(p-Methoxybenzylidene)-p-butylaniline

HCID 33363
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
221128-17-2
표준 SMILES
CCCCc1ccc(N=Cc2ccc(OC)cc2)cc1
InChIKey
FEIWNULTQYHCDN-UHFFFAOYSA-N
분자식
C18H21NO
평균 분자량
267.4 g/mol
단동위원소 질량
267.16231429

개요

Cloudy light yellow liquid. (NTP, 1992)

이름 및 식별자

우선 이름
(p-Methoxybenzylidene)-p-butylaniline
IUPAC
N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine
영어명
MBBA
분자식
C18H21NO
분자량
267.37

이름 및 동의어

26227-73-6RefChem:196562(p-methoxybenzylidene)-p-butylanilineMBBAN-(4-Methoxybenzylidene)-4-butylanilineN-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine4-BUTYL-N-(4-METHOXYBENZYLIDENE)ANILINEMBPAtrans-MbbaN-(p-Methoxybenzylidene)-p-butylaniline97402-82-9DL 1047 N
이름 더 보기
dl1047nSODIUMBROMEBRATETIMTEC-BB SBB008193LABOTEST-BB LT00451793N-(P-ANISAL)-4-BUTYLANILINEP-ANISYLIDENE-P-BUTYLANILINEN-anisylidene-p-butylanilinep-methoxybenzal-p-butylaniline
cis-Mbba(E)-N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimineBenzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-S586T4JYNC4-Methoxybenzilidine-4'-N-butylaniline4-Methoxybenzylidene-4'-n-butylanilinep-Methoxybenzylidene p-ButylanilineUNII-GEW7I7NN51

데이터베이스 식별자

CAS
221128-17-2、26227-73-6、97402-82-9
PubChem CID
33363
DTXSID
DTXSID8025549
UNII
GEW7I7NN51、S586T4JYNC
EC Number
247-527-4
Nikkaji
J2.139.315K、J60.278G

물성

구조 계산 물성

XLogP
5.1
극성 표면적
21.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
20
형식 전하
0
복잡도
273

실험 및 물리화학적 성질

Chemical ClassesLiquid Crystal (LCM) Monomers
Density1.027 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Melting Point70 °F (Turbid) (NTP, 1992)
Physical DescriptionCloudy light yellow liquid. (NTP, 1992)

물리화학적 성질

녹는점
21.1 °C · 21.1°C
끓는 점
410.55 °C · 410.55°C (rough estimate)
밀도
1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
굴절률
1.5486 · 1.5486-1.5506
인화점
113 °C · 113 °C
저장 조건
Refrigerator
용해도
메탄올에 용해됨
물리적 상태
powder to lump to clear liquid
산도 계수 (pKa)
4.24 · 4.24±0.50(Predicted)
색상
White or Colorless to Light orange to Yellow
InChI
InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3
InChIKey
FEIWNULTQYHCDN-UHFFFAOYSA-N
SMILES
C1(N=CC2=CC=C(OC)C=C2)=CC=C(CCCC)C=C1
EPA
4 · N-(4-Methoxybenzylidine)-4'-butylaniline (26227-73-6)

화학적 성질

TURBID YELLOW LIQUID

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsThis chemical is combustible. (NTP, 1992)
Reactive GroupAmines, Aromatic
Reactivity Profile · 1건

4-METHOXYBENZYLIDINE-4'-N-BUTYLANILINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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: 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.

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
BW9550000
HS 번호
2921.42.9000
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-: ACTIVE

응용 분야

일반 설명Cloudy light yellow liquid.

공급사58 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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南京予善化工有限公司025-025-85281586 +86-18105181009 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
武汉路昊新材料有限公司027-81360608 13971310049 · [email protected]
Aladdin Scientific[email protected]
上海康恩博医药科技有限公司(科小研试剂)400-1388-521 17510465506 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
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