기본 정보
- 표준 SMILES
CC1(C)OC[C@H](CCl)O1- InChIKey
BNPOTXLWPZOESZ-YFKPBYRVSA-N- 분자식
- C6H11ClO2
- 평균 분자량
- 150.6 g/mol
이름 및 식별자
- 우선 이름
- (R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane
- IUPAC
- (4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
- 영어명
- (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane
- 분자식
- C6H11ClO2
- 분자량
- 150.6
이름 및 동의어
(R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolaneRefChem:406984629-411-957044-24-3(R)-(+)-4-Chloromethyl-2,2-Dimethyl-1,3-Dioxolane(R)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane(4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolaneMFCD002733711,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4R)-CTC27N3WX9(R)-3-chloro-1,2-propanediol acetonide
이름 더 보기
Ceftobiprole Impurity 15R-Chloropropanediol acetonide(R)-3-Chloro-1,2-propandiol acetonideR-4-chloromethyl-2,2-dimethyl-1,3-dioxoane(R)-2,2-Dimethyl-4-Chlormethyl-1,3-Dioxolane(R)-2,2-Dimethyl-4-Chloromethyl-1,3-Dioxolane(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane >(R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane
4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (+)-(R )-4-CHLOROMETHYL-2,2 -DIMETHYL-1,3-DIOXOLANEUNII-CTC27N3WX9SCHEMBL1204186BNPOTXLWPZOESZ-YFKPBYRVSA-NAKOS006239595AKOS015848752AC-6919
데이터베이스 식별자
- CAS
57044-24-3- PubChem CID
- 2734443
- UNII
- CTC27N3WX9
- EC Number
- 629-411-9
- Nikkaji
- J451.160C
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 103
물리화학적 성질
- 끓는 점
- 63 °C37 · 63 °C37 mm Hg(lit.)
- 밀도
- 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.434(lit.)
- 인화점
- 123 °F · 123 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- BRN
- 4654188 · 4654188
- InChI
- InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m0/s1
- InChIKey
- BNPOTXLWPZOESZ-YFKPBYRVSA-N
- SMILES
- O1C[C@H](CCl)OC1(C)C
화학적 성질
Clear colorless to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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 CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29329990
- risk_code
- 10-41
- hazard_code
- Xi
- safety_code
- 16-26-36
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is often used in biosynthetic preparations.
상·하류 제품 정보
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