2-Aminoterephthalic acid

HCID 2724822

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10312-55-7
표준 SMILES: Nc1cc(C(=O)O)ccc1C(=O)O
InChIKey: GPNNOCMCNFXRAO-UHFFFAOYSA-N
분자식: C8H7NO4
평균 분자량: 181.15 g/mol
단동위원소 질량: 181.0375077

이름 및 식별자

우선 이름: 2-Aminoterephthalic acid
IUPAC: 2-aminoterephthalic acid
영어명: 2-Aminoterephthalic acid
분자식: C8H7NO4
분자량: 181.15

이름 및 동의어

2-Aminoterephthalic acid10312-55-7DTXSID60369241RefChem:465223DTXCID20320277629-480-52-aminobenzene-1,4-dicarboxylic acidAMINOTEREPHTHALIc acid2-Amino-1,4-benzenedicarboxylic acidMFCD001345361,4-Benzenedicarboxylic acid, 2-amino-4-carboxyanthranilic acid

이름 더 보기

H2ABDC2,5-Dicarboxyaniline2-AMINOTEREPHTHALATE3-aminoterephthalic acidDK7275DK7418JACS-10312-55-72-AminoterephthaL

2-amino-terephthalic acid2-aminoterephthalic2-Aminoterephthalicacid2-Aminoterephtalic acid2-amino terephthalic acidAMINOTEREPHTALIC ACIDAminoterephthalic acid,99%Oprea1_602656

데이터베이스 식별자

CAS: 10312-55-7
PubChem CID: 2724822
DTXSID: DTXSID60369241
EC Number: 629-480-5
Nikkaji: J81.486E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 101 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 324 °C · 324 °C (dec.) (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: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 과립분말
산도 계수 (pKa): 3.95 · 3.95±0.10(Predicted)
색상: 노란색
수용성: 물에 약간 용해됩니다.
BRN: 2805625 · 2805625
InChI: InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey: GPNNOCMCNFXRAO-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=CC=C(C(O)=O)C=C1N

화학적 성질

slight yellow 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 (97.9%): 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 47 reports by companies from 6 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.