Diisopropyl azodicarboxylate (HCID 5363146)

이름 및 식별자

우선 이름: Diisopropyl azodicarboxylate
IUPAC: propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate
현지명: 다이아이소프로필 아조다이카복실레이트
영어명: Diisopropyl azodicarboxylate
분자식: C8H14N2O4
분자량: 202.21

이름 및 동의어

Diisopropyl azodicarboxylate2446-83-5Diisopropyl azodiformate939987-56-1Diisopropyl azodicarboxylate [MI]Formic acid, azodi-, diisopropyl ester7W701BXX4KEINECS 219-502-81,2-Diazenedicarboxylic acid 1,2-bis(1-methylethyl) esterDTXSID50894754Diazenedicarboxylic acid, bis(1-methylethyl) esterRefChem:587897

이름 더 보기

다이아이소프로필 아조다이카복실레이트diisopropyl (E)-diazene-1,2-dicarboxylateDisopropyl AzodicarboxylateAZODICARBONIC ACID DIISOPROPYL ESTER(E)-diisopropyl diazene-1,2-dicarboxylateDiisopropyl azodicarboxylate [DIAD]Propan-2-yl N-propan-2-yloxycarbonyliminocarbamateDIAD(Diisopropylazodicarboxylate)

DTXCID4013243121,2Diazenedicarboxylic acid 1,2bis(1methylethyl) ester219-502-8DiisopropylazodicarboxylateDIADDiisopropyl diazene-1,2-dicarboxylateMFCD00008875propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate

데이터베이스 식별자

CAS: 2446-83-5、939987-56-1
PubChem CID: 5363146
DTXSID: DTXSID50894754
UNII: 7W701BXX4K
EC Number: 219-502-8
Nikkaji: J3.771.302C、J56.134G

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 77.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

Physical DescriptionOrange liquid; [Merck Index] Pungent odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 3 · 3-5 °C
끓는 점: 75 °C/0.25 · 75 °C/0.25 mmHg (lit.)
밀도: 1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
증기압: 1.04 hPa · 1.04 hPa (20 °C)
굴절률: 20 · n20/D 1.420(lit.)
인화점: 223 °F · 223 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
색상: 투명하거나 약간 탁한 노란색~주황색~빨간색
수용성: 불용성
BRN: 1912326 · 1912326
InChI: InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3
InChIKey: VVWRJUBEIPHGQF-UHFFFAOYSA-N
SMILES: N(C(OC(C)C)=O)=NC(OC(C)C)=O

화학적 성질

CLEAR ORANGE LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 35.9% (52 of 145) of reports.

Warning

H315 (62.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (62.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (61.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (54.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411 (61.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 52 of 145 reports by companies.；There are 20 notifications provided by 93 of 145 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

Regulatory Information · 2건

Status: Active Update: 02-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23916

Diisopropylazodicarboxylate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Alfa Aesar MSDS] See Diethyl azodicarboxylate.

Hazard Classes and CategoriesSkin Irrit. 2 (62.8%)；Eye Irrit. 2 (62.8%)；STOT SE 3 (61.4%)；STOT RE 2 (54.5%)；Aquatic Chronic 2 (61.4%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 02-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23916

Diisopropylazodicarboxylate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 1
ridadr: UN 3082 9/PG 3
HS 번호: 29270000
risk_code: 36/38-51/53-5-43-36/37/38-11-48/20/22-40
hazard_code: Xn,Xi,N,F
safety_code: 36-61-47A-36/37/39-29-26-16-60-36/37
포장분류: III
위험 등급: 9
기존화학 물질: 99-3-1285
F 고인화성물질: 4.10-8
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Aquatic Chronic 2Carc. 2Eye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as a reagent; [Merck Index]

응용 분야 · 2건

용도Diisopropyl Azodicarboxylate is an azodicarboxylic acid derivative used as a reagent in the production of many organic compounds. Diisopropyl Azodicarboxylate is commonly used as an oxidizer in Mitsun obu reactions and can also serve as a selective deprotectant of N-benzyl groups in the presence of other protecting groups.

일반 설명Reacted with dioxaphosphorinanes and iron catalyst to generate rearranged phosphonium ylide products.