2,2-디메틸벤조[1,3]디옥솔-4-올

Bendiocarb phenol

HCID 62765
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기본 정보

CAS
22961-82-6
표준 SMILES
CC1(C)Oc2cccc(O)c2O1
InChIKey
CSSWBRMYHJVCPZ-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

이름 및 식별자

우선 이름
Bendiocarb phenol
IUPAC
2,2-dimethyl-1,3-benzodioxol-4-ol
현지명
2,2-디메틸벤조[1,3]디옥솔-4-올
영어명
2,2-dimethylbenzo[1,3]dioxol-4-ol
분자식
C9H10O3
분자량
166.17

이름 및 동의어

Bendiocarb phenol22961-82-62,2-Dimethyl-1,3-benzodioxol-4-ol1,3-Benzodioxol-4-ol, 2,2-dimethyl-DTXSID3066845RefChem:561246DTXCID80367821,3Benzodioxol4ol, 2,2dimethyl400-900-72,2-dimethyl-2H-1,3-benzodioxol-4-ol2,2-dimethyl-1,3-dioxaindan-4-olMFCD00667010
이름 더 보기
2,2-디메틸벤조[1,3]디옥솔-4-올2,2-dimethylbenzo[1,3]dioxol-4-ol2, 2-Dimethyl-4-hydroxy-1,3-benzodioxole
2,2-dimethylbenzo[d][1,3]dioxol-4-ol2,2-Dimethyl-4-hydroxy-1,3-benzodioxoleBendiocarb-phenolRCRA waste no. U364SCHEMBL3156898XAA961822,2-Dimethyl-4-hydroxybenzodioxolaneAKOS006272815

데이터베이스 식별자

CAS
22961-82-6
PubChem CID
62765
DTXSID
DTXSID3066845
EC Number
400-900-7
Nikkaji
J743.942C

물성

구조 계산 물성

XLogP
1.8
극성 표면적
38.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Physical Description · 2건

Bendiocarb phenol is a white crystalline solid.

White solid; [CAMEO]

Kovats Retention Index1277

물리화학적 성질

녹는점
92 · 92-93 °C
끓는 점
239.6 · 239.6±29.0 °C(Predicted)
밀도
1.208 · 1.208±0.06 g/cm3(Predicted)
산도 계수 (pKa)
9.61 · 9.61±0.40(Predicted)
EPA
Bendiocarb phenol (22961-82-6)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards SummarySee Bendiocarb.
Reactive GroupEthers；Phenols and Cresols
Reactivity Profile · 1건

BENDIOCARB PHENOL is a phenol. Compounds in this group do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing agents such as hydrides, nitrides, alkali metals, and inorganic sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock.

Air and Water ReactionsHydrolyzes rapidly in alkaline media and decomposes above 125 °C.
Hazard Classes and Categories · 3건

Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Eye damage - category 1

Eye Dam. 1

규제 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

risk_code
41
hazard_code
Xi
safety_code
24-26-39

화학 및 산업

용도 및 제조

UsesPrincipal metabolite of bendiocarb (insecticide); [HSDB]

응용 분야

일반 설명White crystalline solid.

공급사10 곳

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]

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