기본 정보
- CAS
72707-66-5- 표준 SMILES
C=C(CBr)C(=O)O- InChIKey
NOOYFQLPKUQDNE-UHFFFAOYSA-N- 분자식
- C4H5BrO2
- 평균 분자량
- 164.99 g/mol
- 단동위원소 질량
- 163.9472915
이름 및 식별자
- 우선 이름
- 2-(Bromomethyl)propenoic acid
- IUPAC
- 2-(bromomethyl)prop-2-enoic acid
- 현지명
- 2-(브로모메틸)아크릴산
- 영어명
- 2-(Bromomethyl)acrylic acid
- 분자식
- C4H5BrO2
- 분자량
- 164.99
이름 및 동의어
2-(Bromomethyl)acrylic acid72707-66-52-(Bromomethyl)propenoic acid2-Propenoic acid, 2-(bromomethyl)-EINECS 276-774-0DTXSID30223008RefChem:4600522(bromomethyl)acrylic acid2Propenoic acid, 2(bromomethyl)DTXCID90145499276-774-02-(bromomethyl)prop-2-enoic acid
이름 더 보기
2-(브로모메틸)아크릴산A-(BROMOMETHYL)ACRYLIC ACIDα-(Bromomethyl)acrylic acid2-(bromomethyl)prop-2-enoicaci2-(bromomethyl)-2-propenoicaciALPHA-BROMO METHYL ACRYLIC ACID2-(Bromomethyl)acrylic Acid >2-(BroMoMethyl)acrylic acid 98%
MFCD000042592-Bromomethyl-acrylic acid2-(Bromomethyl)-2-propenoic acid2-bromomethyl acrylic acid2-(Bromomethyl)acrylic acid, 98%AS-40257BP-31115NOOYF
데이터베이스 식별자
- CAS
72707-66-5- PubChem CID
- 558884
- DTXSID
DTXSID30223008- EC Number
- 276-774-0
- Nikkaji
- J149.970J
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 97.9
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 70 · 70-73 °C (lit.)
- 끓는 점
- 268.8 · 268.8±23.0 °C(Predicted)
- 밀도
- 1.696 · 1.696±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.45 · 3.45±0.11(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 2426204 · 2426204
- InChI
- InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)
- InChIKey
- NOOYFQLPKUQDNE-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(CBr)=C
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 2916.19.3000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 10
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도2-(Bromomethyl)acrylic Acid is a chemical intermediate in the synthesis of various complex organic compounds and pharmaceuticals.
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