(4-Nitrophenoxy)acetic acid

HCID 15720CAS 1798-11-4

기본 정보

표준 SMILES: O=C(O)COc1ccc([N+](=O)[O-])cc1
InChIKey: AVDLFIONKHGQAP-UHFFFAOYSA-N
분자식: C8H7NO5
평균 분자량: 197.14 g/mol
단동위원소 질량: 197.03242232

이름 및 식별자

우선 이름: (4-Nitrophenoxy)acetic acid
IUPAC: 2-(4-nitrophenoxy)acetic acid
영어명: 4-Nitrophenoxyacetic acid
분자식: C8H7NO5
분자량: 197.14

이름 및 동의어

1798-11-44-Nitrophenoxyacetic acid(4-Nitrophenoxy)acetic acidAcetic acid, (4-nitrophenoxy)-DTXSID3061978RefChem:69486DTXCID8035710217-283-3p-Nitrophenoxyacetic acidAcetic acid, 2-(4-nitrophenoxy)-(4-Nitro-phenoxy)-acetic acidMFCD00017030

이름 더 보기

2-(4-NITROPHENOXY)ACETIC ACIDba2690AKOS BB/0038AKOS B000976AKOS BBS-00007601RARECHEM AL BO 0661TIMTEC-BB SBB000363ART-CHEM-BB B0009764-Nitrophenoxyessigsurep-nitrophenoxy-aceticaci

Ba 2690ACETIC ACID, p-NITROPHENOXY-EINECS 217-283-3NSC 166278BRN 20519702-(4-Nitrophenoxy)aceticacidAI3-526102-(4-Nitrophenoxy)-acetic acid

데이터베이스 식별자

CAS: 1798-11-4
PubChem CID: 15720
DTXSID: DTXSID3061978
ChEMBL: CHEMBL177045
EC Number: 217-283-3
Nikkaji: J54.955J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 92.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 182 · 182-188 °C
끓는 점: 334.23 °C · 334.23°C (rough estimate)
밀도: 1.5023 · 1.5023 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1:2.893 (25°C)
색상: MeOH 또는 EtOH의 전단지
EPA: Acetic acid, (4-nitrophenoxy)- (1798-11-4)

화학적 성질

yellow-beige crystalline 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 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.