CAS 1445-69-8 2,3-Dihydro-1,4-phthalazinedione (HCID 219401)

기본 정보

CAS: 1445-69-8
표준 SMILES: O=c1[nH][nH]c(=O)c2ccccc12
InChIKey: KGLPWQKSKUVKMJ-UHFFFAOYSA-N
분자식: C8H6N2O2
평균 분자량: 162.15 g/mol
단동위원소 질량: 162.04292744

이름 및 식별자

우선 이름: 2,3-Dihydro-1,4-phthalazinedione
IUPAC: 2,3-dihydrophthalazine-1,4-dione
현지명: 프탈하이드라지드
영어명: Phthalhydrazide
분자식: C8H6N2O2
분자량: 162.15

이름 및 동의어

Phthalhydrazide1445-69-82,3-Dihydrophthalazine-1,4-dione2,3-Dihydro-1,4-phthalazinedione1,4-Phthalazinedione, 2,3-dihydro-1,4-PhthalazinediolNSC-651NSC-201511B66L4XR5MRDTXSID90871842RefChem:816592,3-DHPD

이름 더 보기

프탈하이드라자이드프탈하이드라지드PhthalohydrazidePHTHALHYDRAZINEPhthalhydrizidePHTALYLHYDRAZINEPHTHALOYLHYDRAZINEPhthalodihydrazide

DTXCID50819462215-893-4PhthalocyclohydrazidePhthalic Hydrazide1,2,3,4-tetrahydrophthalazine-1,4-dionephthalazine-1,4-diolMFCD00006888Azelastine Impurity 7

데이터베이스 식별자

CAS: 1445-69-8
PubChem CID: 219401
DTXSID: DTXSID90871842
UNII: B66L4XR5MR
EC Number: 215-893-4
Nikkaji: J80.114C

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 288.82 °C · 288.82°C (rough estimate)
밀도: 1.3264 · 1.3264 (rough estimate)
굴절률: 1.577 · 1.5770 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤과 아세트산에 용해됩니다.
물리적 상태: 가루와 덩어리
산도 계수 (pKa): 10.7 · 10.70±0.20(Predicted)
색상: 하얀색
BRN: 135926 · 135926
InChI: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)
InChIKey: KGLPWQKSKUVKMJ-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)NN1

화학적 성질

WHITE POWDER AND CHUNKS

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

Hydroxyphthalazinone

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

화학 및 산업

응용 분야

용도Phthalhydrazide is a reagent used in the synthesis of various pyrazolophthalazine derivatives is and used in medicine double hydrazine phthalocyanine work intermediates.