3-나이트로프탈산

3-Nitrophthalic acid

HCID 69043CAS 603-11-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O
InChIKey
KFIRODWJCYBBHY-UHFFFAOYSA-N
분자식
C8H5NO6
평균 분자량
211.13 g/mol
단동위원소 질량
211.01168688

개요

structure in first source

이름 및 식별자

우선 이름
3-Nitrophthalic acid
IUPAC
3-nitrophthalic acid
현지명
3-나이트로프탈산
영어명
3-Nitrophthalic acid
분자식
C8H5NO6
분자량
211.13

이름 및 동의어

3-Nitrophthalic acid603-11-2Phthalic acid, 3-nitro-1,2-Benzenedicarboxylic acid, 3-nitro-MC7W4GB97CNSC-3120DTXSID9060528RefChem:95046DTXCID1042786210-030-83-nitrobenzene-1,2-dicarboxylic acid3-Nitrophthalicacid
이름 더 보기
3-나이트로프탈산3-니트로프탈산3-NPAo-Nitrophthalic acidPomalidomide Impurity 8NSC 3120AKOS B0287343-nitrophthalic3-nitro-phthalateRARECHEM AL BO 0803
3-nitro-phthalic acidMFCD00007138Pomalidomide Impurity 5m-Nitrophthalic acid3-Nitro-1,2-benzenedicarboxylic acidUNII-MC7W4GB97CSCHEMBL304456STR03241

데이터베이스 식별자

CAS
603-11-2
PubChem CID
69043
DTXSID
DTXSID9060528
UNII
MC7W4GB97C
EC Number
210-030-8
Nikkaji
J3.288.228E、J62.025D

물성

구조 계산 물성

XLogP
0.7
극성 표면적
120 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
15

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitrobenzoic Acids
Vapor Pressure0.00000018 [mmHg]
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
210 °C · 210 °C (dec.) (lit.)
끓는 점
350.79 °C · 350.79°C (rough estimate)
밀도
1.6342 · 1.6342 (rough estimate)
증기 밀도
7.3 · 7.3 (vs air)
굴절률
1.5282 · 1.5282 (estimate)
저장 조건
30 °C · Store below +30°C.

화학적 성질

Pale yellow crystals. soluble in hot water, methanol, ethanol, slightly soluble in ether, insoluble in chloroform, carbon tetrachloride, carbon disulfide, benzene.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 87 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,2-Benzenedicarboxylic acid, 3-nitro-

Status: Active Update: 06-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21660

3-Nitrophthalic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 3-Nitrobenzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29173980
risk_code
36/37/38-41
hazard_code
Xi
safety_code
26-36/39-37/39-36

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Benzenedicarboxylic acid, 3-nitro-: ACTIVE

응용 분야

용도3-Nitrophthalic Acid is a useful chemical in organic synthesis. It is also an impurity of Apremilast.

일반 설명3-Nitrophthalic acid is a degradation product of isoxaben herbicide. It acts as ligand and forms rare-earth complexes.

제조 방법 · 1건

Phthalic anhydride was added to concentrated sulfuric acid, stirring under the passage of water vapor heating to 80 °C, fuming nitric acid was added dropwise, the reaction temperature to maintain 100-110°C, add the end of the heat above 110°C for 2h, placed in the overnight pour into the water, and filtered. The filter cake was recrystallized with water to obtain 3-Nitrophthalic acid. Yield of about 30%.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

관련 반응

76건
반응 기록 만들기

연결된 노트

불러오는 중…