기본 정보
- CAS
96-96-8- 표준 SMILES
COc1ccc(N)c([N+](=O)[O-])c1- InChIKey
QFMJFXFXQAFGBO-UHFFFAOYSA-N- 분자식
- C7H8N2O3
- 평균 분자량
- 168.15 g/mol
- 단동위원소 질량
- 168.05349212
개요
4-methoxy-2-nitroaniline is a substituted aniline that is 3-nitroanisole in which the hydrogen para to the methoxy group is replaced by an amino group. It is a member of 3-nitroanisoles and a substituted aniline.
이름 및 식별자
- 우선 이름
- 4-Methoxy-2-nitroaniline
- IUPAC
- 4-methoxy-2-nitroaniline
- 현지명
- 4-메톡시-2-나이트로아닐린
- 영어명
- Azoic Diazo Component 1
- 분자식
- C7H8N2O3
- 분자량
- 168.15
이름 및 동의어
4-Methoxy-2-nitroaniline96-96-82-Nitro-4-methoxyaniline4-Amino-3-nitroanisoleFast Bordeaux GP3-Nitro-4-aminoanisoleFast Bordeaux GP Basep-Anisidine, 2-nitro-Azobase NASDevol Bordeaux BBordeaux GP BaseBordeaux GP Salt
이름 더 보기
4-메톡시-2-나이트로아닐린2-나이트로-p-아니시딘1-아미노-2-나이트로-4-메톡시벤젠4-메톡시-2-나이트로벤젠아민4-메톡시2-나이트로아닐린벤젠아민, 4-메톡시-2-나이트로아조디아조성분12-NITRO-P-ANISIDINE2-Nitro-p-anisidine (NH2=1)4-methoxy-2-nitroanilin4-METHOXY-2-NITRO-PHENYLAMINEBenzenamine, 4-methoxy-2-nitro-Bordea
Bordeaux Base NGPBordeaux Salt NGPFast Bordeaux GDNFast Bordeaux GP SaltKako Bordeaux GP BaseAzofix Bordeaux GPDaito Bordeaux Base GPDiabase Bordeaux GP
데이터베이스 식별자
- CAS
96-96-8- PubChem CID
- 66793
- DTXSID
DTXSID3044750- ChEMBL
CHEMBL3184419- ChEBI
CHEBI:48973- UNII
- 1UYX3YYQ1G
- EC Number
- 202-547-2
- Nikkaji
- J96.208B
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.86
Vapor Pressure0.000319 [mmHg]
Physical Description
CBI
Orange powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 123 · 123-126 °C(lit.)
- 끓는 점
- 337.07 °C · 337.07°C (rough estimate)
- 밀도
- 1.2089 · 1.2089 (estimate)
- 증기압
- 0.022 · 0.022-0.022Pa at 25℃
- 굴절률
- 1.601 · 1.6010 (estimate)
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.96 · 0.96±0.10(Predicted)
- 수용성
- 약간 용해됨
- BRN
- 880318 · 880318
- LogP
- 1.94 at · 1.94 at 25℃
- NIST
- 4 · Benzenamine, 4-methoxy-2-nitro-(96-96-8)
- EPA
- 4 · 4-Methoxy-2-nitroaniline (96-96-8)
화학적 성질
orange crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H300+H310+H330 (65.2%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzenamine, 4-methoxy-2-nitro-
Benzenamine, 4-methoxy-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-methoxy-2-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 27-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13251
4-Methoxy-2-nitroaniline: HSNO Approval: HSR004302 Approved with controls
Hazards SummaryAn irritant; May induce methemoglobinemia; Highly toxic by ingestion, inhalation, and skin absorption; May have cumulative adverse effects; [Alfa Aesar MSDS] See 2-Methoxy-4-nitroaniline.
Hazard Classes and Categories
Acute Tox. 2 (100%)
Acute toxicity (inhalation) - category 2
Hazardous to the aquatic environment (Acute) - Category 2
Acute Tox. 1
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BY4415000
- ridadr
- UN 2811 6.1/PG 2
- HS 번호
- 29222900
- risk_code
- 26/27/28-33-52/53
- hazard_code
- T+,T
- safety_code
- 28-36/37-45-61
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- KE-23334
화학 및 산업
용도 및 제조
UsesUsed to make fine chemicals and in scientific research and development; [ExPub: ECHA REACH Registrations]
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenamine, 4-methoxy-2-nitro-: ACTIVE
응용 분야
용도Toxic to some wild and domestic birds and mice. Molluscicidal activity
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: A substituted aniline that is 3-nitroanisole in which the hydrogen para to the methoxy group is replaced by an amino group.
관련 반응
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