6-아미노프탈라이드

6-Aminophthalide

HCID 93631CAS 57319-65-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc2c(c1)C(=O)OC2
InChIKey: ZIJZDNKZJZUROE-UHFFFAOYSA-N
분자식: C8H7NO2
평균 분자량: 149.15 g/mol
단동위원소 질량: 149.04767847

이름 및 식별자

우선 이름: 6-Aminophthalide
IUPAC: 6-amino-3H-2-benzofuran-1-one
현지명: 6-아미노프탈라이드
영어명: 6-Aminophthalide
분자식: C8H7NO2
분자량: 149.15

이름 및 동의어

6-Aminophthalide57319-65-0BF6HH4UQR9NSC-49585DTXSID40205936RefChem:104211DTXCID70128427260-675-46-aminoisobenzofuran-1(3H)-one6-Amino-1,3-dihydroisobenzofuran-1-one6-Amino-2-benzofuran-1(3H)-one6-amino-3H-2-benzofuran-1-one

이름 더 보기

6-아미노프탈라이드RMA-2836-AminophtalideBUTTPARK 33\04-936-Aminophthalide,95%6-Aminophthalide 97%6-Aminophthalide 97%

6-Amino-3H-isobenzofuran-1-one6-AMINO-1,3-DIHYDRO-2-BENZOFURAN-1-ONEMFCD000335301(3H)-Isobenzofuranone, 6-amino-6-AMINO-1(3H)-ISOBENZOFURANONE5-amino-3-oxo-1,3-dihydroisobenzofuran6-amino-3-hydroisobenzofuran-1-one6-Aminophthalid

데이터베이스 식별자

CAS: 57319-65-0
PubChem CID: 93631
DTXSID: DTXSID40205936
ChEBI: CHEBI:194582
UNII: BF6HH4UQR9
EC Number: 260-675-4
Nikkaji: J349.133A

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 181

물리화학적 성질

녹는점: 183 °C · 183 °C
끓는 점: 420.2 · 420.2±45.0 °C(Predicted)
밀도: 1.376 · 1.376±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.88 · 3.88±0.20(Predicted)
수용성: 1360 mg/L · 물에 용해됨 1360mg/L 25°C.
InChI: InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
InChIKey: ZIJZDNKZJZUROE-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(N)=C2)CO1

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

ridadr: UN2811
HS 번호: 2932990090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도It is used to produce 6-acetylamino-phthalide. It is also used as a starting material in the reduction reaction.

상·하류 제품 정보

상류 원료

하류 제품

5-클로로-2-포르밀-벤조산 6-시아노프탈리드 6-IODO-3H-이소벤조푸란-1-ONE

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

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

연결된 노트

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