2-요오드벤조 산
2-Iodobenzoic acid
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기본 정보
- CAS
1321-07-9- 표준 SMILES
O=C(O)c1ccccc1I- InChIKey
CJNZAXGUTKBIHP-UHFFFAOYSA-N- 분자식
- C7H5IO2
- 평균 분자량
- 248.02 g/mol
- 단동위원소 질량
- 247.9334274
개요
2-iodobenzoic acid is an iodobenzoic acid with a single iodo substituent placed at the 2-position. It is an iodobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-iodobenzoate.
이름 및 식별자
- 우선 이름
- 2-Iodobenzoic acid
- IUPAC
- 2-iodobenzoic acid
- 현지명
- 2-요오드벤조 산
- 영어명
- 2-Iodobenzoic acid
- 분자식
- C7H5IO2
- 분자량
- 248.02
이름 및 동의어
2-IODOBENZOIC ACID88-67-5o-Iodobenzoic acidBenzoic acid, 2-iodo-7Q00V80J7QNSC-3772DTXSID6058976CHEBI:287979OISBo-iodobenzoic-(125)I acid2-iodobenzoic-(125)I acidRefChem:473771
이름 더 보기
2-요오드벤조산2-요오드벤조산2-IODO BENZONIC ACIDNSC 3772usafek-572'LGC' (4009)O-iodine acidIodobenzoicAcid2-lodhenxoieacid
DTXCID6048624201-850-7Iodobenzoic acidBenzoic acid, o-iodo-USAF EK-572MFCD00002419Kyselina o-jodbenzoovao-Jod-benzoesaeure
데이터베이스 식별자
- CAS
1321-07-9、88-67-5- PubChem CID
- 6941
- DTXSID
DTXSID6058976- ChEMBL
CHEMBL112424- ChEBI
CHEBI:287979- UNII
- 7Q00V80J7Q
- EC Number
- 201-850-7、695-036-2
- Nikkaji
- J38.418F
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesCrystal structure
LogP2.45
Vapor Pressure0.000198 [mmHg]
Physical DescriptionWhite solid; [Merck Index] Light brown powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 160 · 160-162 °C(lit.)
- 끓는 점
- 313.9 · 313.9±25.0 °C(Predicted)
- 밀도
- 2.25 · 2.25
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 디메틸 설폭사이드 및 메탄올에 용해됨
- 산도 계수 (pKa)
- 2.85 · 2.85(at 25℃)
- 물리적 상태
- 분말, 결정 또는 플레이크
- 색상
- 연한 노란색에서 주황색 갈색까지
- 수용성
- 난용성
- Merck
- 14 · 14,5030
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 123 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 2-iodo-
Status: No longer Valid Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24645
Benzoic acid, 2-iodo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; Targets the thyroid; [Sigma-Aldrich MSDS] See Benzoic acid.
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DH2975000
- HS 번호
- 2916399090
- risk_code
- 22-37/38-41-36/37/38-20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 26-39-24/25-22-36
- 위험 등급
- IRRITANT, LIGHT SENSITIVE
- 기존화학 물질
- KE-21035
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 2-iodo-: ACTIVE
응용 분야
개요2-iodobenzoic acid and its derivatives are important pharmaceutical and chemical raw materials, which are necessary for the synthesis of various high-iodine reagents. It is commonly used as a precursor for the synthesis of 2-Iodoxybenzoic acid (IBX) and Dess-Martin peridinane, which are used as mild oxidants. It is also used in Suziki reaction.
용도Reagent for detection of sulfhydryl groups in proteins. 2-Iodobenzoic acid acts as a precursor in the preparation of 2-Iodoxybenzoic acid (IBX) and Dess-Martin periodinane, which finds application as an oxidizing agent in synthetic chemistry. It is also used in Suzuki reaction.
제조 방법
2-Iodobenzoic acid is obtained from Anthranilic acid by diazotization and substitution. Diazotization of Anthranilic acid with sodium nitrite in the presence of sulfuric acid, control the temperature below 10℃, filter the diazotization solution, add the mixture of potassium iodide and sulfuric acid, stir for 10min after addition, and boil. Filter, wash with sodium thiosulfate solution, 2-Iodobenzoic acid can be recrystallized from water.
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