기본 정보
- CAS
152628-03-0- 표준 SMILES
CCCc1nc2c(C)cc(C(=O)O)cc2[nH]1- InChIKey
XWAJTVCEILFDGU-UHFFFAOYSA-N- 분자식
- C12H14N2O2
- 평균 분자량
- 218.25 g/mol
- 단동위원소 질량
- 218.10552769
이름 및 식별자
- 우선 이름
- 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid
- IUPAC
- 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
- 현지명
- 4-메틸-2-n-프로필-1H-벤즈이미다졸-6-카르복실산
- 영어명
- 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid
- 분자식
- C12H14N2O2
- 분자량
- 218.25
이름 및 동의어
152628-03-07-Methyl-2-propyl-1H-benzimidazole-5-carboxylic AcidRefChem:5468154-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid4-methyl-2-propyl-1H-Benzimidazole-6-carboxylic acid7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acidMFCD066562151H-Benzimidazole-4-methyl-2-propyl-6-carboxylic AcidTelmisartan Benzimidazole Acid6-Carboxy-4-methyl-2-propylbenzimidazole
이름 더 보기
4-메틸-2-n-프로필-1H-벤즈이미다졸-6-카르복실산BENZIMIDAZOLE CARBOXYLIC ACID2-PROPYL-4-METHYL-6-CARBOXYL BENZIMIDAZOLE2-N-PROPYL-4-METHYL-6-CARBOXY-BENZIMIDAZOLESingle-imidazole2-N-Propyl-4-MethTelmisartan Intermediate 3Mono-imidazole candesartanTelmisartan Benzimidazole Acid Impurity
1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid2-Propyl-4-methylbenzimidazol-6-carboxylic acid; 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid; 4-Methyl-2-propyl-6-benzimidazolecarboxylic acid; 7-Methyl-2-propyl-3H-benzimidazole-5-carboxylic acid; 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-; 1H-Benzimidazole-4-methyl-2-propyl-6-carboxylic Acid4-methyl-2-propyl-1H-1,3-benzodiazole-6-carboxylic acid2-n-propyl-4-methyl-6-carboxy benzimidazolePCA9BS2RT9SCHEMBL158112SCHEMBL158113
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 270
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 끓는 점
- 491.8 · 491.8±25.0 °C(Predicted)
- 밀도
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO및메탄올에 용해됨
- 산도 계수 (pKa)
- 3.19 · 3.19±0.30(Predicted)
- 물리적 상태
- 가루
- 색상
- 연한 노란색에서 황갈색까지
- InChIKey
- XWAJTVCEILFDGU-UHFFFAOYSA-N
화학적 성질
Light Yellow to Tan Powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- HS 번호
- 29332900
화학 및 산업
응용 분야
용도4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid is a useful synthetic intermediate,a useful compound in organic synthesis.
상·하류 제품 정보
상류 원료
하류 제품
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