옥살릴디히드라지드

Oxalic acid, dihydrazide

HCID 13826CAS 996-98-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)C(=O)NN
InChIKey: SWRGUMCEJHQWEE-UHFFFAOYSA-N
분자식: C2H6N4O2
평균 분자량: 118.1 g/mol
단동위원소 질량: 118.04907545

이름 및 식별자

우선 이름: Oxalic acid, dihydrazide
IUPAC: ethanedihydrazide
현지명: 옥살릴디히드라지드
영어명: Oxalyl dihydrazide
분자식: C2H6N4O2
분자량: 118.1

이름 및 동의어

996-98-5Oxalic acid hydrazideOxalylhydrazideOxalic acid, dihydrazideEthanedioic acid dihydrazideRefChem:168797213-640-2Oxalyl dihydrazideOxalyldihydrazideEthanedihydrazideEthanedioic acid, dihydrazideOxalic dihydrazide

이름 더 보기

옥살릴디히드라지드OXALIC ACID DIHYDRAZIDEAURORA KA-6471xalylhydrazideoxalichydrazide

OxaldihydrazideOxalyl hydrazideOxalhydrazideOxalohydrazideOxaloyl dihydrazideOxalylhydrazineOxaloylhydrazineOxalic hydrazide

데이터베이스 식별자

CAS: 996-98-5
PubChem CID: 13826
DTXSID: DTXSID20870823
UNII: 9ZG676L978
EC Number: 213-640-2
Nikkaji: J36.620J

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 110 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 96

물리화학적 성질

녹는점: 242 · 242-244 °C (dec.)(lit.)
끓는 점: 220.6 °C · 220.6°C (rough estimate)
밀도: 1.458 · 1.4580
굴절률: 1.4462 · 1.4462 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: almost transparency in hot Water
물리적 상태: 고체
산도 계수 (pKa): 10.61 · 10.61±0.20(Predicted)
색상: 흰색에서 황백색까지
냄새: 냄새 없는
BRN: 1072110 · 1072110
InChI: InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)
InChIKey: SWRGUMCEJHQWEE-UHFFFAOYSA-N
SMILES: C(=O)(NN)C(=O)NN
NIST: Ethanedioic acid, dihydrazide(996-98-5)
EPA: Ethanedioic acid, dihydrazide (996-98-5)

화학적 성질

white to slightly yellow crystals or cryst. powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (88.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 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

Regulatory InformationChemical: Ethanedioic acid, dihydrazide

Hazard Classes and CategoriesSkin Irrit. 2 (11.8%)；Skin Sens. 1 (88.2%)；Eye Irrit. 2A (13.7%)；STOT SE 3 (11.8%)；Aquatic Chronic 2 (88.2%)

규제 정보

Regulatory InformationChemical: Ethanedioic acid, dihydrazide

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RO2840000
HS 번호: 29280090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanedioic acid, 1,2-dihydrazide: ACTIVE

응용 분야

용도Oxalyldihydrazide was used as a crosslinker for enrichment of carbonylated proteins within a microfluid chip. It was also used to synthesize a new series of manganese and iron salt forming complexes by template condensation with glyoxal.