기본 정보
- 표준 SMILES
CC1(C)Cc2cccc(O)c2O1- InChIKey
WJGPNUBJBMCRQH-UHFFFAOYSA-N- 분자식
- C10H12O2
- 평균 분자량
- 164.2 g/mol
- 단동위원소 질량
- 164.08372962
개요
Carbofuran phenol is an odorless, white crystalline solid.
이름 및 식별자
- 우선 이름
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
- IUPAC
- 2,2-dimethyl-3H-1-benzofuran-7-ol
- 영어명
- 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
- 분자식
- C10H12O2
- 분자량
- 164.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1563-38-8- PubChem CID
- 15278
- DTXSID
DTXSID2027414- ChEMBL
CHEMBL2259976- ChEBI
CHEBI:38474- UNII
- 772HS1899G
- EC Number
- 216-350-4
- Nikkaji
- J7.515I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 177
실험 및 물리화학적 성질
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide degradation product
Physical Description
Carbofuran phenol is an odorless, white crystalline solid.
White odorless solid; [CAMEO]
물리화학적 성질
- 끓는 점
- 95 °C · 95°C 1mm
- 밀도
- 1.101 g/mL · 1.101 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.541(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 10.1 · 10.10±0.40(Predicted)
- Specific Gravity
- 1.101 · 1.101
- 색상
- 무색
- InChI
- 1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
- InChIKey
- WJGPNUBJBMCRQH-UHFFFAOYSA-N
- SMILES
- CC1(C)Cc2cccc(O)c2O1
- NIST
- 7 · 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-(1563-38-8)
- EPA
- 2 · 2,3-Dihydro-2,2-dimethyl-7-benzofuranol (1563-38-8)
화학적 성질
Colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hazard Traits - Hazard Trait Undefined
The 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.)
FIFRA Requirements
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR CUCUMBERS 0.4 PPM, MELONS 0.4 PPM, PUMPKINS 0.8 PPM, & SQUASH 0.8 PPM.
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR FRESH CORN 1.0 PPM.
Reactivity Profile
CARBOFURAN 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.
안전 및 보호
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
7-Hydroxycarbofuran
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
규제 정보
FIFRA Requirements
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR CUCUMBERS 0.4 PPM, MELONS 0.4 PPM, PUMPKINS 0.8 PPM, & SQUASH 0.8 PPM.
RESIDUE TOLERANCES OF CARBOFURAN (2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL-N-METHYLCARBAMATE), ITS CARBAMATE & PHENOLIC METABOLITES, INCLUDING 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, ARE GIVEN FOR FRESH CORN 1.0 PPM.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DF7708985
- ridadr
- UN 3082 9 / PGIII
- HS 번호
- 2932990090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- 위험 등급
- 9
- 기존화학 물질
- KE-10617
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
- 유해 물질 데이터
- 1563-38-8(Hazardous Substances Data)
화학 및 산업
약리 정보
Metabolism/Metabolites
ALFALFA CONTAINING CARBOFURAN RESIDUES WAS ADMIN TO A COW. THESE RESIDUES WERE METABOLIZED AND EXCRETED AS SULFATES OF 3-KETO-7-PHENOL (65%), THE 7-PHENOL (9.4%) AND THE 3,7-DIOL (6.4%).
(14)C-CARBOFURAN WAS APPLIED TO SOLN IN WHICH THE ROOTS OF 3-4 YEAR OLD MUGHO PINE WERE IMMERSED. ... IN ADDN TO TWO UNIDENTIFIED COMPD, CARBOFURAN PHENOL AND LESSER AMOUNTS OF 3-HYDROXYFURAN AND 3-KETOCARBOFURAN PHENOL WERE PRESENT.
RATS WITH THEIR BILE DUCTS CANNULATED WERE GIVEN AN ORAL DOSE OF RING-LABELED CARBOFURAN; WITHIN 48 HR THEY HAD EXCRETED 28.5% OF THE DOSE IN THEIR BILE, 65.4% IN THEIR URINE, AND 0.4% IN THEIR FECES. ...THE RELEASED COMPD...INCLUDED...CARBOFURAN PHENOL...
용도 및 제조
Use Classification
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Transformation products
응용 분야
용도2,3-Dihydro-2,2-dimethyl-7-benzofuranol was used as starting reagent in the preparation of aminoalkanol derivatives of 2,3-dihydro-2,2-dimethyl-7-benzofuranol.
일반 설명Odorless, white crystalline solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…