기본 정보
- 표준 SMILES
Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
UNBOSJFEZZJZLR-UHFFFAOYSA-N- 분자식
- C12H10N4O2
- 평균 분자량
- 242.23 g/mol
- 단동위원소 질량
- 242.08037556
개요
4-(4-nitrophenylazo)aniline is azobenzene substituted at the phenyl 4-positions by an amino and a nitro group. It has a role as a dye and an allergen. It is a member of azobenzenes and a primary arylamine. It is functionally related to an azobenzene.
이름 및 식별자
- 우선 이름
- Disperse orange 3
- IUPAC
- 4-[(4-nitrophenyl)diazenyl]aniline
- 현지명
- 디스페스 오렌지 3
- 영어명
- DISPERSE ORANGE 3
- 분자식
- C12H10N4O2
- 분자량
- 242.23
이름 및 동의어
Disperse orange 3730-40-54-(4-Nitrophenylazo)anilineC.I. Disperse Orange 34-[(4-nitrophenyl)diazenyl]aniline4-Amino-4'-nitroazobenzeneBenzenamine, 4-[(4-nitrophenyl)azo]-4-((4-nitrophenyl)diazenyl)aniline1-(4'-aminophenylazo)-4-nitrobenzene4-[(4-nitrophenyl)azo]benzenamineMFCD00007856Benzeneamine, 4-((nitrophenyl)azo)-
이름 더 보기
디스페스오렌지3디스페스오렌지3(DISPERSEORANGE3)4-[(4-나이트로페닐)아조]아닐린분산등색3호CI 11005CellitonOrangeGRSolvent Orange 9abcolorange2rnex.DISPERSEORANGENO3Disperse Orange GRDisperse Orange Zh
Benzenamine, 4-((4-nitrophenyl)azo)-B7J3O076OTCHEBI:75648Benzenamine, 4-(2-(4-nitrophenyl)diazenyl)-T4874-((4-NITROPHENYL)AZO)BENZENAMINEDO3Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]-
데이터베이스 식별자
- CAS
730-40-5- PubChem CID
- 12896
- DTXSID
DTXSID7061061- ChEMBL
CHEMBL5287885- ChEBI
CHEBI:75648- UNII
- B7J3O076OT
- EC Number
- 211-984-8
- Nikkaji
- J2.364.317K、J2.364.318I、J6.955H
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 96.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 300
실험 및 물리화학적 성질
CosmeticsHair dyeing
LogP2.37
물리화학적 성질
- 녹는점
- 200 °C · ~200 °C (dec.)(lit.)
- 끓는 점
- 385.06 °C · 385.06°C (rough estimate)
- 밀도
- 1.2532 · 1.2532 (rough estimate)
- 굴절률
- 1.6081 · 1.6081 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(매우 약간, 가열, 초음파 처리), DMSO(약간), 메탄올(약간) 에 용해됨
- 산도 계수 (pKa)
- 2.78 · 2.78±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 빨간색에서 진한 갈색까지
- 수용성
- 290.7 ug/L · 290.7ug/L(25℃)
- BRN
- 1842907 · 1842907
- Henry's Law Constant
- 3.5 · 3.5×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 주요 응용
- 청소용품화장품환경음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+
- InChIKey
- UNBOSJFEZZJZLR-CCEZHUSRSA-N
- SMILES
- Nc1ccc(cc1)\N=N\c2ccc(cc2)[N+]([O-])=O
- EPA
- 3 · C.I. Disperse Orange 3 (730-40-5)
화학적 성질
red to dark brown powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.6% (2 of 56) of reports.
Warning
H315 (76.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenamine, 4-[(4-nitrophenyl)azo]-
Benzenamine, 4-(4-nitrophenyl)azo-: 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.
Other Safety InformationIMAP assessments - Azo Dyes that Cleave to Aromatic Amines of Potential Toxicological Concern: Human health tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (76.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 32041100
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 26-36/37
- 기존화학 물질
- KE-07376
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
PharmacodynamicsT487 is a small molecule chemokine receptor antagonist to correct or modify immune system responses. It binds selectively and potently to CXCR3.
Mechanism of ActionT487 binds selectively and potently to CXCR3.
용도 및 제조
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationBenzenamine, 4-[2-(4-nitrophenyl)diazenyl]-: ACTIVE
응용 분야
개요Disperse orange 3 is an azo dye which can induce contact dermatitis in workers in the textile industry. Patch tests are frequently positive (about 30%) in hairdressers with a hand dermatitis. It is probably an indicator of contact sensitization to PPD, but disperse orange 3 can also be found in so me semipermanent hair dyes.
용도Disperse orange 3 is used as a dye in acetate, nylon, silk, wool, and cotton; stocking dye.
일반 설명Disperse Orange 3 (DO3) is a monoazo dye, which contains 90% dye content plus dispersing agents and surfactants. It has two aromatic rings with an amino group on one of the rings and the other is substituted with a nitro group. It shows an absorption peak majoring at 415 nm.
제조 방법
4-Nitrobenzenamine diazo, with aniline base armour sulfonic acid coupling, and sodium hydroxide solution to boil, then a sulfonic acid hydrolysis off base.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [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]
career henan chemical co+86-0371-86658258 · [email protected]
郑州睿科生化科技有限公司18521304688;17324816296 · [email protected]
海蔚化学86-21-51086038 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
추가 설명
정의ChEBI: Azobenzene substituted at the phenyl 4-positions by an amino and a nitro group.
관련 반응
4건
연결된 노트
불러오는 중…