Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (HCID 123513)

이름 및 식별자

우선 이름: Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
IUPAC: 4-tert-butylbenzohydrazide
영어명: 4-tert-Butylbenzhydrazide
분자식: C11H16N2O
분자량: 192.26

이름 및 동의어

43100-38-54-tert-ButylbenzohydrazideBenzoic acid, 4-(1,1-dimethylethyl)-, hydrazidep-tert-ButylbenzohydrazideEINECS 256-090-9DTXSID7074747RefChem:565863DTXCID3040229256-090-94-tert-Butylbenzhydrazide4-(tert-Butyl)benzohydrazide4-tert-Butylbenzoic hydrazide

이름 더 보기

4-TERT-BUTYLBEAKOS BBS-00004509BUTTPARK 44\03-79Butylbenzhydrazide4-tert-ButylbenzhydrLABOTEST-BB LT00454438

4-tert-butylbenzhyrazide4-tert-Butylbenzoic acid hydrazideMFCD000147634-(tert-butyl)benzenecarbohydrazide4-t-Butylbenzhydrazide4-t-butyl-benzhydrazideMaybridge1_008514p-(t-butyl)-benzhydrazide

데이터베이스 식별자

CAS: 43100-38-5
PubChem CID: 123513
DTXSID: DTXSID7074747
UNII: BE762NHT78
EC Number: 256-090-9
Nikkaji: J30.697E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

실험 및 물리화학적 성질

Physical DescriptionDry Powder

물리화학적 성질

녹는점: 120 · 120-127 °C(lit.)
밀도: 1.046 · 1.046±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 12.82 · 12.82±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 1104663 · 1104663
InChI: InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey: XYUFQWDLRLHUPB-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(C(C)(C)C)C=C1
NIST: 4 · 4-Tert-butylbenzoic acid hydrazide(43100-38-5)
EPA: 4 · Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (43100-38-5)

화학적 성질

white to light beige crystalline powder or

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29280000
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 24/25-36/37-26-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Photographic Film, Paper, Plate, and Chemical Manufacturing

Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide: ACTIVE

응용 분야

용도4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide

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