(2-Nitrophenyl)acetic acid (HCID 77337)

개요

(2-nitrophenyl)acetic acid is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group. It is a member of phenylacetic acids and a C-nitro compound. It is functionally related to a nitrobenzene and a phenylacetic acid.

이름 및 식별자

우선 이름: (2-Nitrophenyl)acetic acid
IUPAC: 2-(2-nitrophenyl)acetic acid
영어명: 2-Nitrophenylacetic acid
분자식: C8H7NO4
분자량: 181.15

이름 및 동의어

2-Nitrophenylacetic acid3740-52-12-(2-nitrophenyl)acetic acido-Nitrophenylacetic acid(2-Nitrophenyl)acetic acidBenzeneacetic acid, 2-nitro-2-Nitrobenzeneacetic acid2-(o-Nitrophenyl)acetic acidAcetic acid, (o-nitrophenyl)-(ortho-Nitrophenyl)acetic acid05TN0SUY38DTXSID0063157

이름 더 보기

RARECHEM AL BO 0228NITROPHENYLACETICACIDBenzocaine Impurity 132-Nitrophenylessigsαure2-nitro-benzeneaceticaci2-nitrobenzeneaceticacid(2-Nitrophenly)AceticAcid

NSC-16624CHEBI:187870RefChem:88744DTXCID8039324223-128-0MFCD00007190(2-Nitro-phenyl)-acetic acidCCRIS 2336

데이터베이스 식별자

CAS: 3740-52-1
PubChem CID: 77337
DTXSID: DTXSID0063157
ChEBI: CHEBI:187870
UNII: 05TN0SUY38
EC Number: 223-128-0
Nikkaji: J27.572G、J714.505E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic

SpringerMaterials PropertiesChemical shift

Physical DescriptionPale yellow odorless crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 137 · 137-140 °C (lit.)
끓는 점: 314.24 °C · 314.24°C (rough estimate)
밀도: 1.4283 · 1.4283 (rough estimate)
굴절률: 1.5468 · 1.5468 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4 · 4(at 25℃)
물리적 상태: 결정성 분말
색상: 노란색에서 베이지색
BRN: 1959243 · 1959243
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey: WMUZDBZPDLHUMW-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=CC=C1[N+]([O-])=O
NIST: 2 · Benzeneacetic acid, 2-nitro-(3740-52-1)
EPA: 2 · 2-Nitrophenylacetic acid (3740-52-1)

화학적 성질

yellow to beige crystalline powder

안전 및 규제

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzeneacetic acid, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Suspected mutagen; [Alfa Aesar MSDS] See Nitrobenzene. See Phenylacetic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AJ1130000
독성: mmo-sat 500 mg/plate MUREAV 170,11,86
HS 번호: 29163900
risk_code: 36/37/38-68
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetic acid, 2-nitro-: INACTIVE

응용 분야

용도2-Nitrophenylacetic acid was used as an internal standard in the determination of the theophylline solubilizer salicylamide-O-acetic acid.

상·하류 제품 정보

하류 제품

2-Aminophenylacetic acid 2-Aminophenethanol

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]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

연결된 노트

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(2-Nitrophenyl)acetic acid

기본 정보

개요