4-Nitroisophthalic acid

HCID 3062438CAS 4315-09-7

기본 정보

표준 SMILES: O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey: OCJFXVHDIVAONP-UHFFFAOYSA-N
분자식: C8H5NO6
평균 분자량: 211.13 g/mol
단동위원소 질량: 211.01168688

이름 및 식별자

우선 이름: 4-Nitroisophthalic acid
IUPAC: 4-nitrobenzene-1,3-dicarboxylic acid
영어명: 4-Nitroisophthalic acid
분자식: C8H5NO6
분자량: 211.13

이름 및 동의어

4-Nitroisophthalic acid4315-09-7C3744RDR3SDTXSID20388913RefChem:100073DTXCID903398164-nitrobenzene-1,3-dicarboxylic Acid4-Nitroisophathalic AcidC8H5NO64-nitroisophthalicacidMFCD000962244-NITRO-1,3-BENZENEDICARBOXYLIC ACID

이름 더 보기

4-Nitroisophthalicaci4-Nitroisophthalic aidNitroisophathalic Acid4-NITRO-1,3-DICARBOXYLIC ACID4-Nitrophenyl-1,3-dicarboxylic acid ,97%

1,3-BENZENEDICARBOXYLIC ACID, 4-NITRO-Oprea1_320313CS-W022226Z14162827414-Nitrophenyl-1,3-dicarboxylic acidPomalidomide Impurity 334-nitro isophthalic acid3,4,5,6-Tetrachloro

데이터베이스 식별자

CAS: 4315-09-7
PubChem CID: 3062438
DTXSID: DTXSID20388913
UNII: C3744RDR3S
EC Number: 610-110-6
Nikkaji: J2.116.010E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 120 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 296

물리화학적 성질

녹는점: 258 · 258-259°C
끓는 점: 492.9 · 492.9±40.0 °C(Predicted)
밀도: 1.671 · 1.671±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 1.86 · 1.86±0.25(Predicted)
InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: OCJFXVHDIVAONP-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=CC=C([N+]([O-])=O)C(C(O)=O)=C1

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.